CID 5747431

4-pyridinecarboxylic acid, 2-(2-hydroxy-1,4-dioxo-4-phenyl-2-butenyl)hydrazide, (z)-

Structural Information

Molecular Formula
C16H13N3O4
SMILES
C1=CC=C(C=C1)/C(=C/C(=O)C(=O)NNC(=O)C2=CC=NC=C2)/O
InChI
InChI=1S/C16H13N3O4/c20-13(11-4-2-1-3-5-11)10-14(21)16(23)19-18-15(22)12-6-8-17-9-7-12/h1-10,20H,(H,18,22)(H,19,23)/b13-10-
InChIKey
FLVXBGBKWZTTJE-RAXLEYEMSA-N
Compound name
N'-[(Z)-4-hydroxy-2-oxo-4-phenylbut-3-enoyl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.0906 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.09788 170.1
[M+Na]+ 334.07982 173.4
[M-H]- 310.08332 173.7
[M+NH4]+ 329.12442 180.8
[M+K]+ 350.05376 170.3
[M+H-H2O]+ 294.08786 160.9
[M+HCOO]- 356.08880 190.7
[M+CH3COO]- 370.10445 204.5
[M+Na-2H]- 332.06527 173.1
[M]+ 311.09005 167.2
[M]- 311.09115 167.2
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.