CID 5747432

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

Structural Information

Molecular Formula
C16H12ClN3O4
SMILES
C1=CC(=CC=C1/C(=C/C(=O)C(=O)NNC(=O)C2=CC=NC=C2)/O)Cl
InChI
InChI=1S/C16H12ClN3O4/c17-12-3-1-10(2-4-12)13(21)9-14(22)16(24)20-19-15(23)11-5-7-18-8-6-11/h1-9,21H,(H,19,23)(H,20,24)/b13-9-
InChIKey
KEOAKHUHKBRAFY-LCYFTJDESA-N
Compound name
N'-[(Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoyl]pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.05164 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.05892 175.8
[M+Na]+ 368.04086 186.0
[M+NH4]+ 363.08546 180.2
[M+K]+ 384.01480 181.7
[M-H]- 344.04436 177.2
[M+Na-2H]- 366.02631 181.6
[M]+ 345.05109 177.4
[M]- 345.05219 177.4
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.