CID 3068959

84044-26-8

Structural Information

Molecular Formula
C23H19ClN4O2
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NNC(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H19ClN4O2/c1-28-19-13-12-17(24)14-18(19)20(15-8-4-2-5-9-15)25-21(23(28)30)26-27-22(29)16-10-6-3-7-11-16/h2-14,21,26H,1H3,(H,27,29)
InChIKey
MGNOPZGVXXZNOI-UHFFFAOYSA-N
Compound name
N'-(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.11966 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.12694 202.5
[M+Na]+ 441.10888 210.5
[M-H]- 417.11238 211.4
[M+NH4]+ 436.15348 210.9
[M+K]+ 457.08282 208.5
[M+H-H2O]+ 401.11692 191.6
[M+HCOO]- 463.11786 217.7
[M+CH3COO]- 477.13351 210.9
[M+Na-2H]- 439.09433 205.9
[M]+ 418.11911 201.3
[M]- 418.12021 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.