CID 15764

1824-69-7

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
C1C(=O)NC2=C(C=C(C=C2)Cl)C(N1)C3=CC=CC=C3
InChI
InChI=1S/C15H13ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8,15,17H,9H2,(H,18,19)
InChIKey
GYQOYYFIHYKFEO-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
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

No literature data available for this compound.

Patent stripe

patents stripe