CID 488122

Pas-hydrazide

Structural Information

Molecular Formula
C13H12N4O4
SMILES
C1=CC(=C(C=C1N)O)C(=O)ONNC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H12N4O4/c14-9-1-2-10(11(18)7-9)13(20)21-17-16-12(19)8-3-5-15-6-4-8/h1-7,17-18H,14H2,(H,16,19)
InChIKey
QLQXEMXRUMIKKL-UHFFFAOYSA-N
Compound name
[2-(pyridine-4-carbonyl)hydrazinyl] 4-amino-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.08585 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09313 161.5
[M+Na]+ 311.07507 166.9
[M-H]- 287.07857 165.5
[M+NH4]+ 306.11967 173.3
[M+K]+ 327.04901 164.4
[M+H-H2O]+ 271.08311 152.4
[M+HCOO]- 333.08405 185.0
[M+CH3COO]- 347.09970 204.0
[M+Na-2H]- 309.06052 166.4
[M]+ 288.08530 159.4
[M]- 288.08640 159.4
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.