CID 3075391

178879-97-5

Structural Information

Molecular Formula
C10H10N4O4S
SMILES
CN1C=C(C(=N1)S(=O)(=O)NC2=CN=CC=C2)C(=O)O
InChI
InChI=1S/C10H10N4O4S/c1-14-6-8(10(15)16)9(12-14)19(17,18)13-7-3-2-4-11-5-7/h2-6,13H,1H3,(H,15,16)
InChIKey
VGNDHTFPMYXQBV-UHFFFAOYSA-N
Compound name
1-methyl-3-(pyridin-3-ylsulfamoyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.04227 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04955 159.9
[M+Na]+ 305.03149 169.6
[M+NH4]+ 300.07609 164.2
[M+K]+ 321.00543 167.0
[M-H]- 281.03499 159.1
[M+Na-2H]- 303.01694 164.6
[M]+ 282.04172 161.0
[M]- 282.04282 161.0
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

No patent data available for this compound.