CID 3075393

178879-99-7

Structural Information

Molecular Formula
C11H12N4O4S
SMILES
CN1C=C(C(=N1)S(=O)(=O)N(C)C2=CN=CC=C2)C(=O)O
InChI
InChI=1S/C11H12N4O4S/c1-14-7-9(11(16)17)10(13-14)20(18,19)15(2)8-4-3-5-12-6-8/h3-7H,1-2H3,(H,16,17)
InChIKey
BAFJKCZCPKPQQN-UHFFFAOYSA-N
Compound name
1-methyl-3-[methyl(pyridin-3-yl)sulfamoyl]pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.05792 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06520 163.7
[M+Na]+ 319.04714 172.8
[M-H]- 295.05064 167.9
[M+NH4]+ 314.09174 176.8
[M+K]+ 335.02108 170.3
[M+H-H2O]+ 279.05518 155.8
[M+HCOO]- 341.05612 179.7
[M+CH3COO]- 355.07177 200.2
[M+Na-2H]- 317.03259 166.1
[M]+ 296.05737 168.2
[M]- 296.05847 168.2
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.