CID 624374

28910-89-6

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 174.8
[M+Na]+ 349.08266 187.8
[M+NH4]+ 344.12726 181.8
[M+K]+ 365.05660 180.9
[M-H]- 325.08616 179.3
[M+Na-2H]- 347.06811 183.1
[M]+ 326.09289 178.2
[M]- 326.09399 178.2
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