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]+ 312.097876 170.1
[M+Na]+ 334.079818 173.4
[M-H]- 310.083324 173.7
[M+NH4]+ 329.124423 180.8
[M+K]+ 350.053758 170.3
[M+H-H2O]+ 294.087860 160.9
[M+HCOO]- 356.088801 190.7
[M+CH3COO]- 370.104451 204.5
[M+Na-2H]- 332.065266 173.1
[M]+ 311.09005142 167.2
[M]- 311.09114858 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.