PubChemLite - Nsc669976 (C19H27N5O6)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C(C=C1)N2C3C(N(C(N3OC2=O)(C)C)O)(C)C)NC(=O)NCC(=O)OC

InChI

InChI=1S/C19H27N5O6/c1-11-7-8-12(9-13(11)21-16(26)20-10-14(25)29-6)22-15-18(2,3)24(28)19(4,5)23(15)30-17(22)27/h7-9,15,28H,10H2,1-6H3,(H2,20,21,26)

InChIKey

FMMCQKQIWFNXPI-UHFFFAOYSA-N

Compound name

methyl 2-[[5-(6-hydroxy-5,5,7,7-tetramethyl-2-oxo-7aH-imidazo[1,5-b][1,2,4]oxadiazol-1-yl)-2-methylphenyl]carbamoylamino]acetate

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]+	422.20342	193.6
[M+Na]+	444.18536	201.5
[M-H]-	420.18886	198.1
[M+NH4]+	439.22996	206.4
[M+K]+	460.15930	200.7
[M+H-H2O]+	404.19340	188.1
[M+HCOO]-	466.19434	208.6
[M+CH3COO]-	480.20999	230.6
[M+Na-2H]-	442.17081	193.0
[M]+	421.19559	198.4
[M]-	421.19669	198.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

422.20342

193.6

[M+Na]+

444.18536

201.5

[M-H]-

420.18886

198.1

[M+NH4]+

439.22996

206.4

[M+K]+

460.15930

200.7

[M+H-H2O]+

404.19340

188.1

[M+HCOO]-

466.19434

208.6

[M+CH3COO]-

480.20999

230.6

[M+Na-2H]-

442.17081

193.0

[M]+

421.19559

198.4

[M]-

421.19669

198.4

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

Nsc669976

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe