CID 16729025

Chembl390333

Structural Information

Molecular Formula
C14H12N4O4
SMILES
C1=CC(=C(C=C1N=CNNC(=O)C2=CC=NC=C2)O)C(=O)O
InChI
InChI=1S/C14H12N4O4/c19-12-7-10(1-2-11(12)14(21)22)16-8-17-18-13(20)9-3-5-15-6-4-9/h1-8,19H,(H,16,17)(H,18,20)(H,21,22)
InChIKey
HKCGCJVEXDQUOU-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.08585 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09313 164.7
[M+Na]+ 323.07507 169.9
[M-H]- 299.07857 169.0
[M+NH4]+ 318.11967 176.1
[M+K]+ 339.04901 166.9
[M+H-H2O]+ 283.08311 155.4
[M+HCOO]- 345.08405 188.7
[M+CH3COO]- 359.09970 206.7
[M+Na-2H]- 321.06052 170.2
[M]+ 300.08530 163.2
[M]- 300.08640 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.