CID 615796

N-(1,3-dimethyl-5-pyrazolyl)anthranilic acid

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC1=NN(C(=C1)NC2=CC=CC=C2C(=O)O)C
InChI
InChI=1S/C12H13N3O2/c1-8-7-11(15(2)14-8)13-10-6-4-3-5-9(10)12(16)17/h3-7,13H,1-2H3,(H,16,17)
InChIKey
YCWUYQQRIHWNLH-UHFFFAOYSA-N
Compound name
2-[(2,5-dimethylpyrazol-3-yl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

231.10077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 150.6
[M+Na]+ 254.08999 159.3
[M-H]- 230.09349 154.4
[M+NH4]+ 249.13459 166.9
[M+K]+ 270.06393 155.9
[M+H-H2O]+ 214.09803 142.6
[M+HCOO]- 276.09897 173.0
[M+CH3COO]- 290.11462 191.3
[M+Na-2H]- 252.07544 153.9
[M]+ 231.10022 151.0
[M]- 231.10132 151.0
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

patents stripe