CID 3074082

155144-45-9

Structural Information

Molecular Formula
C11H11N3O4S
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=NN2)C(=O)O
InChI
InChI=1S/C11H11N3O4S/c1-14(8-5-3-2-4-6-8)19(17,18)10-9(11(15)16)7-12-13-10/h2-7H,1H3,(H,12,13)(H,15,16)
InChIKey
MVYRKTZRJFFMMV-UHFFFAOYSA-N
Compound name
5-[methyl(phenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.04703 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05431 160.0
[M+Na]+ 304.03625 167.7
[M-H]- 280.03975 163.7
[M+NH4]+ 299.08085 174.0
[M+K]+ 320.01019 164.6
[M+H-H2O]+ 264.04429 152.7
[M+HCOO]- 326.04523 175.7
[M+CH3COO]- 340.06088 193.7
[M+Na-2H]- 302.02170 162.6
[M]+ 281.04648 161.7
[M]- 281.04758 161.7
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.