CID 19624601

2-hydroxy-4-{[(1-methyl-1h-pyrazol-3-yl)methyl]amino}benzoic acid

Structural Information

Molecular Formula
C12H13N3O3
SMILES
CN1C=CC(=N1)CNC2=CC(=C(C=C2)C(=O)O)O
InChI
InChI=1S/C12H13N3O3/c1-15-5-4-9(14-15)7-13-8-2-3-10(12(17)18)11(16)6-8/h2-6,13,16H,7H2,1H3,(H,17,18)
InChIKey
ICEWNJQYLKXUPH-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[(1-methylpyrazol-3-yl)methylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.102966 153.7
[M+Na]+ 270.084908 161.8
[M-H]- 246.088414 156.1
[M+NH4]+ 265.129513 168.5
[M+K]+ 286.058848 158.1
[M+H-H2O]+ 230.092950 145.8
[M+HCOO]- 292.093891 174.8
[M+CH3COO]- 306.109541 191.1
[M+Na-2H]- 268.070356 156.6
[M]+ 247.09514142 153.6
[M]- 247.09623858 153.6
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.