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]+ 405.11128 197.6
[M+Na]+ 427.09322 210.8
[M+NH4]+ 422.13782 203.7
[M+K]+ 443.06716 203.3
[M-H]- 403.09672 203.3
[M+Na-2H]- 425.07867 206.0
[M]+ 404.10345 201.3
[M]- 404.10455 201.3
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

No patent data available for this compound.