CID 5279109

Chembl208467

Structural Information

Molecular Formula
C23H19N3O3
SMILES
COC1=CC=CC=C1C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H19N3O3/c1-29-19-14-8-6-12-17(19)22(27)26-21-23(28)24-18-13-7-5-11-16(18)20(25-21)15-9-3-2-4-10-15/h2-14,21H,1H3,(H,24,28)(H,26,27)
InChIKey
HENQCOBRCXLFNN-UHFFFAOYSA-N
Compound name
2-methoxy-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

385.14264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14992 194.7
[M+Na]+ 408.13186 200.4
[M-H]- 384.13536 202.4
[M+NH4]+ 403.17646 202.5
[M+K]+ 424.10580 199.3
[M+H-H2O]+ 368.13990 184.4
[M+HCOO]- 430.14084 211.8
[M+CH3COO]- 444.15649 202.8
[M+Na-2H]- 406.11731 198.2
[M]+ 385.14209 190.8
[M]- 385.14319 190.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe