CID 24397

7722-15-8

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
C1C(=N)N=C2C=CC(=CC2=C(N1O)C3=CC=CC=C3)Cl
InChI
InChI=1S/C15H12ClN3O/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19(20)9-14(17)18-13/h1-8,17,20H,9H2
InChIKey
IRKXPJJKXBMOMW-UHFFFAOYSA-N
Compound name
7-chloro-4-hydroxy-5-phenyl-3H-1,4-benzodiazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

14
Patents

285.0669 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 163.2
[M+Na]+ 308.05612 173.9
[M-H]- 284.05962 168.7
[M+NH4]+ 303.10072 177.1
[M+K]+ 324.03006 171.7
[M+H-H2O]+ 268.06416 155.0
[M+HCOO]- 330.06510 179.5
[M+CH3COO]- 344.08075 174.6
[M+Na-2H]- 306.04157 170.1
[M]+ 285.06635 161.5
[M]- 285.06745 161.5
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