CID 475637

258850-12-3

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
C1C2=C(C=CC(=C2)Cl)NC(=O)C(N1)C3=CC=CC=C3
InChI
InChI=1S/C15H13ClN2O/c16-12-6-7-13-11(8-12)9-17-14(15(19)18-13)10-4-2-1-3-5-10/h1-8,14,17H,9H2,(H,18,19)
InChIKey
WFGFYHXGHNFROB-UHFFFAOYSA-N
Compound name
7-chloro-3-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.07166 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 159.7
[M+Na]+ 295.06088 167.9
[M-H]- 271.06438 162.7
[M+NH4]+ 290.10548 173.1
[M+K]+ 311.03482 164.7
[M+H-H2O]+ 255.06892 151.9
[M+HCOO]- 317.06986 170.9
[M+CH3COO]- 331.08551 169.7
[M+Na-2H]- 293.04633 164.6
[M]+ 272.07111 153.6
[M]- 272.07221 153.6
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

No patent data available for this compound.