CID 3068958

Brn 5134207

Structural Information

Molecular Formula
C17H15ClN4O2
SMILES
CC(=O)NNC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C17H15ClN4O2/c1-10(23)21-22-16-17(24)19-14-8-7-12(18)9-13(14)15(20-16)11-5-3-2-4-6-11/h2-9,16,22H,1H3,(H,19,24)(H,21,23)
InChIKey
RACKMXKGBKTGBH-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.08835 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09563 177.4
[M+Na]+ 365.07757 188.9
[M+NH4]+ 360.12217 183.2
[M+K]+ 381.05151 183.2
[M-H]- 341.08107 180.6
[M+Na-2H]- 363.06302 183.7
[M]+ 342.08780 180.0
[M]- 342.08890 180.0
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.