PubChemLite - Schembl642184 (C24H21N3O5S)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)S(=O)(=O)C)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4

InChI

InChI=1S/C24H21N3O5S/c1-32-20-14-16(33(2,30)31)12-13-18(20)23(28)27-22-24(29)25-19-11-7-6-10-17(19)21(26-22)15-8-4-3-5-9-15/h3-14,22H,1-2H3,(H,25,29)(H,27,28)

InChIKey

QFZHYISYPSMNDW-UHFFFAOYSA-N

Compound name

2-methoxy-4-methylsulfonyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide

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]+	464.12746	213.2
[M+Na]+	486.10940	218.7
[M-H]-	462.11290	220.9
[M+NH4]+	481.15400	218.3
[M+K]+	502.08334	218.8
[M+H-H2O]+	446.11744	203.6
[M+HCOO]-	508.11838	224.2
[M+CH3COO]-	522.13403	230.9
[M+Na-2H]-	484.09485	215.0
[M]+	463.11963	212.7
[M]-	463.12073	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.12746

213.2

[M+Na]+

486.10940

218.7

[M-H]-

462.11290

220.9

[M+NH4]+

481.15400

218.3

[M+K]+

502.08334

218.8

[M+H-H2O]+

446.11744

203.6

[M+HCOO]-

508.11838

224.2

[M+CH3COO]-

522.13403

230.9

[M+Na-2H]-

484.09485

215.0

[M]+

463.11963

212.7

[M]-

463.12073

212.7

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

Schembl642184

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe