CID 51060111

4-cl-n-(2-oxo-2-(2-((4-oxo-4h-chromen-3-yl)methylene)hydrazino)ethyl)benzamide

Structural Information

Molecular Formula
C19H14ClN3O4
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)CNC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H14ClN3O4/c20-14-7-5-12(6-8-14)19(26)21-10-17(24)23-22-9-13-11-27-16-4-2-1-3-15(16)18(13)25/h1-9,11H,10H2,(H,21,26)(H,23,24)/b22-9+
InChIKey
GZXZWCTWTOSKSY-LSFURLLWSA-N
Compound name
4-chloro-N-[2-oxo-2-[(2E)-2-[(4-oxochromen-3-yl)methylidene]hydrazinyl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.0673 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.07458 187.1
[M+Na]+ 406.05652 200.5
[M+NH4]+ 401.10112 193.4
[M+K]+ 422.03046 193.1
[M-H]- 382.06002 193.5
[M+Na-2H]- 404.04197 194.3
[M]+ 383.06675 190.9
[M]- 383.06785 190.9
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.