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 175.5
[M+Na]+ 368.04086 180.5
[M-H]- 344.04436 179.4
[M+NH4]+ 363.08546 186.1
[M+K]+ 384.01480 175.8
[M+H-H2O]+ 328.04890 167.5
[M+HCOO]- 390.04984 191.7
[M+CH3COO]- 404.06549 209.4
[M+Na-2H]- 366.02631 177.5
[M]+ 345.05109 175.5
[M]- 345.05219 175.5
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.