CID 3075395

178880-01-8

Structural Information

Molecular Formula
C10H10N4O4S
SMILES
CN1C=C(C(=N1)S(=O)(=O)NC2=CC=CC=N2)C(=O)O
InChI
InChI=1S/C10H10N4O4S/c1-14-6-7(10(15)16)9(12-14)19(17,18)13-8-4-2-3-5-11-8/h2-6H,1H3,(H,11,13)(H,15,16)
InChIKey
QBSARDFFHHIJEM-UHFFFAOYSA-N
Compound name
1-methyl-3-(pyridin-2-ylsulfamoyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.04227 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.04955 160.0
[M+Na]+ 305.03149 169.4
[M-H]- 281.03499 162.9
[M+NH4]+ 300.07609 173.0
[M+K]+ 321.00543 165.7
[M+H-H2O]+ 265.03953 152.4
[M+HCOO]- 327.04047 175.8
[M+CH3COO]- 341.05612 194.0
[M+Na-2H]- 303.01694 163.3
[M]+ 282.04172 162.8
[M]- 282.04282 162.8
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.