CID 19624610

2-hydroxy-4-{[(1-methyl-1h-pyrazol-5-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/c1-15-9(4-5-14-15)7-13-8-2-3-10(12(17)18)11(16)6-8/h2-6,13,16H,7H2,1H3,(H,17,18)
InChIKey
RIPLJOOCQIZMET-UHFFFAOYSA-N
Compound name
2-hydroxy-4-[(2-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]+ 248.10297 153.7
[M+Na]+ 270.08491 161.8
[M-H]- 246.08841 156.1
[M+NH4]+ 265.12951 168.5
[M+K]+ 286.05885 158.1
[M+H-H2O]+ 230.09295 145.8
[M+HCOO]- 292.09389 174.8
[M+CH3COO]- 306.10954 191.1
[M+Na-2H]- 268.07036 156.6
[M]+ 247.09514 153.6
[M]- 247.09624 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.