CID 624374

2-(2-acetylhydrazino)-7-chloro-5-phenyl-3h-1,4-benzodiazepine

Structural Information

Molecular Formula
C17H15ClN4O
SMILES
CC(=O)NNC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3
InChI
InChI=1S/C17H15ClN4O/c1-11(23)21-22-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)20-16/h2-9H,10H2,1H3,(H,20,22)(H,21,23)
InChIKey
RIYMFZCORTVORQ-UHFFFAOYSA-N
Compound name
N'-(7-chloro-5-phenyl-3H-1,4-benzodiazepin-2-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

326.09344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10072 175.7
[M+Na]+ 349.08266 184.2
[M-H]- 325.08616 181.9
[M+NH4]+ 344.12726 188.1
[M+K]+ 365.05660 183.1
[M+H-H2O]+ 309.09070 166.3
[M+HCOO]- 371.09164 192.9
[M+CH3COO]- 385.10729 186.0
[M+Na-2H]- 347.06811 182.2
[M]+ 326.09289 174.6
[M]- 326.09399 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe