CID 3058963

75878-00-1

Structural Information

Molecular Formula
C15H13ClN4O
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)NN
InChI
InChI=1S/C15H13ClN4O/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(20-17)15(21)18-12/h1-8,14,20H,17H2,(H,18,21)
InChIKey
AHUPOOZODGRLCX-UHFFFAOYSA-N
Compound name
7-chloro-3-hydrazinyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.0778 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08508 168.8
[M+Na]+ 323.06702 177.7
[M-H]- 299.07052 173.4
[M+NH4]+ 318.11162 181.4
[M+K]+ 339.04096 175.7
[M+H-H2O]+ 283.07506 160.0
[M+HCOO]- 345.07600 184.2
[M+CH3COO]- 359.09165 178.9
[M+Na-2H]- 321.05247 174.3
[M]+ 300.07725 164.3
[M]- 300.07835 164.3
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