CID 38237

7-chloro-3-methyl-5-phenyl-2,3-dihydro-1h-1,4-benzodiazepin-2-one

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
CC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2O/c1-10-16(20)19-14-8-7-12(17)9-13(14)15(18-10)11-5-3-2-4-6-11/h2-10H,1H3,(H,19,20)
InChIKey
SATGIBNNISQKBG-UHFFFAOYSA-N
Compound name
7-chloro-3-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

284.07166 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 162.7
[M+Na]+ 307.06088 172.8
[M-H]- 283.06438 167.6
[M+NH4]+ 302.10548 176.7
[M+K]+ 323.03482 170.1
[M+H-H2O]+ 267.06892 154.7
[M+HCOO]- 329.06986 176.3
[M+CH3COO]- 343.08551 173.8
[M+Na-2H]- 305.04633 167.7
[M]+ 284.07111 160.4
[M]- 284.07221 160.4
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