PubChemLite - Furan-2-carboxylic acid (5-methyl-2-{1-methyl-1-[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-ethylamino}-4-oxo-4h-benzo[d][1,3]oxazin-6-yl)-amide (C26H27N5O5)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(C)(C)C(=O)N(C)CCC3=CC=CC=N3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H27N5O5/c1-16-18(28-22(32)20-9-7-15-35-20)10-11-19-21(16)23(33)36-25(29-19)30-26(2,3)24(34)31(4)14-12-17-8-5-6-13-27-17/h5-11,13,15H,12,14H2,1-4H3,(H,28,32)(H,29,30)

InChIKey

IEVFSCLYTIIGMR-UHFFFAOYSA-N

Compound name

N-[5-methyl-2-[[2-methyl-1-[methyl(2-pyridin-2-ylethyl)amino]-1-oxopropan-2-yl]amino]-4-oxo-3,1-benzoxazin-6-yl]furan-2-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	490.20851	220.7
[M+Na]+	512.19045	226.2
[M-H]-	488.19395	232.2
[M+NH4]+	507.23505	224.3
[M+K]+	528.16439	225.4
[M+H-H2O]+	472.19849	209.4
[M+HCOO]-	534.19943	240.6
[M+CH3COO]-	548.21508	249.6
[M+Na-2H]-	510.17590	224.6
[M]+	489.20068	227.9
[M]-	489.20178	227.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.20851

220.7

[M+Na]+

512.19045

226.2

[M-H]-

488.19395

232.2

[M+NH4]+

507.23505

224.3

[M+K]+

528.16439

225.4

[M+H-H2O]+

472.19849

209.4

[M+HCOO]-

534.19943

240.6

[M+CH3COO]-

548.21508

249.6

[M+Na-2H]-

510.17590

224.6

[M]+

489.20068

227.9

[M]-

489.20178

227.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Furan-2-carboxylic acid (5-methyl-2-{1-methyl-1-[methyl-(2-pyridin-2-yl-ethyl)-carbamoyl]-ethylamino}-4-oxo-4h-benzo[d][1,3]oxazin-6-yl)-amide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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