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 178.9
[M+Na]+ 365.07757 186.8
[M-H]- 341.08107 183.9
[M+NH4]+ 360.12217 189.9
[M+K]+ 381.05151 185.6
[M+H-H2O]+ 325.08561 169.8
[M+HCOO]- 387.08655 193.7
[M+CH3COO]- 401.10220 188.3
[M+Na-2H]- 363.06302 183.4
[M]+ 342.08780 176.0
[M]- 342.08890 176.0
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.