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
3
Annotation Hits

0
References

49
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.