CID 38238

39200-49-2

Structural Information

Molecular Formula
C22H17ClN2O
SMILES
C1=CC=C(C=C1)C[C@H]2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C22H17ClN2O/c23-17-11-12-19-18(14-17)21(16-9-5-2-6-10-16)24-20(22(26)25-19)13-15-7-3-1-4-8-15/h1-12,14,20H,13H2,(H,25,26)/t20-/m0/s1
InChIKey
NNOKMWGSDMXUQB-FQEVSTJZSA-N
Compound name
(3S)-3-benzyl-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

360.10294 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.11022 188.4
[M+Na]+ 383.09216 204.7
[M+NH4]+ 378.13676 196.4
[M+K]+ 399.06610 195.3
[M-H]- 359.09566 194.5
[M+Na-2H]- 381.07761 198.2
[M]+ 360.10239 193.0
[M]- 360.10349 193.0
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.