CID 2756242

108895-98-3

Structural Information

Molecular Formula
C23H19N3O3
SMILES
C1=CC=C(C=C1)COC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C23H19N3O3/c27-22-21(26-23(28)29-15-16-9-3-1-4-10-16)25-20(17-11-5-2-6-12-17)18-13-7-8-14-19(18)24-22/h1-14,21H,15H2,(H,24,27)(H,26,28)
InChIKey
SJZIESNYFPDCPM-UHFFFAOYSA-N
Compound name
benzyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

385.14264 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14992 194.2
[M+Na]+ 408.13186 199.1
[M-H]- 384.13536 201.5
[M+NH4]+ 403.17646 201.7
[M+K]+ 424.10580 197.8
[M+H-H2O]+ 368.13990 183.8
[M+HCOO]- 430.14084 211.3
[M+CH3COO]- 444.15649 202.0
[M+Na-2H]- 406.11731 198.4
[M]+ 385.14209 189.8
[M]- 385.14319 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.