CID 3068957

84044-24-6

Structural Information

Molecular Formula
C22H17ClN4O2
SMILES
C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)NNC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H17ClN4O2/c23-16-11-12-18-17(13-16)19(14-7-3-1-4-8-14)25-20(22(29)24-18)26-27-21(28)15-9-5-2-6-10-15/h1-13,20,26H,(H,24,29)(H,27,28)
InChIKey
ZATAEBQHVRCMSX-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.104 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.111276 197.1
[M+Na]+ 427.093218 204.2
[M-H]- 403.096724 204.5
[M+NH4]+ 422.137823 205.1
[M+K]+ 443.067158 201.7
[M+H-H2O]+ 387.101260 186.6
[M+HCOO]- 449.102201 211.3
[M+CH3COO]- 463.117851 205.1
[M+Na-2H]- 425.078666 201.4
[M]+ 404.10345142 193.5
[M]- 404.10454858 193.5
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.