PubChemLite - Schembl13917474 (C24H26N4O6)

Structural Information

Molecular Formula

SMILES

CC1(C2=NC(=C(C(=O)N2CCO1)O)C(=O)NCC3=CC=CC=C3C4=C(N=C(C=C4)OC)OC)C

InChI

InChI=1S/C24H26N4O6/c1-24(2)23-27-18(19(29)22(31)28(23)11-12-34-24)20(30)25-13-14-7-5-6-8-15(14)16-9-10-17(32-3)26-21(16)33-4/h5-10,29H,11-13H2,1-4H3,(H,25,30)

InChIKey

RLGWEPKLUCLVMO-UHFFFAOYSA-N

Compound name

N-[[2-(2,6-dimethoxypyridin-3-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-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]+	467.19252	213.9
[M+Na]+	489.17446	221.8
[M-H]-	465.17796	220.5
[M+NH4]+	484.21906	218.3
[M+K]+	505.14840	218.8
[M+H-H2O]+	449.18250	201.3
[M+HCOO]-	511.18344	227.4
[M+CH3COO]-	525.19909	237.7
[M+Na-2H]-	487.15991	216.4
[M]+	466.18469	218.6
[M]-	466.18579	218.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.19252

213.9

[M+Na]+

489.17446

221.8

[M-H]-

465.17796

220.5

[M+NH4]+

484.21906

218.3

[M+K]+

505.14840

218.8

[M+H-H2O]+

449.18250

201.3

[M+HCOO]-

511.18344

227.4

[M+CH3COO]-

525.19909

237.7

[M+Na-2H]-

487.15991

216.4

[M]+

466.18469

218.6

[M]-

466.18579

218.6

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

Schembl13917474

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe