CID 61394846

1-(3-methylphenyl)-1h-pyrazole-4-sulfonamide

Structural Information

Molecular Formula
C10H11N3O2S
SMILES
CC1=CC(=CC=C1)N2C=C(C=N2)S(=O)(=O)N
InChI
InChI=1S/C10H11N3O2S/c1-8-3-2-4-9(5-8)13-7-10(6-12-13)16(11,14)15/h2-7H,1H3,(H2,11,14,15)
InChIKey
CWKUNUXGZOJCTR-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)pyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0572 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06448 150.8
[M+Na]+ 260.04642 161.3
[M-H]- 236.04992 155.7
[M+NH4]+ 255.09102 167.9
[M+K]+ 276.02036 157.2
[M+H-H2O]+ 220.05446 143.7
[M+HCOO]- 282.05540 169.2
[M+CH3COO]- 296.07105 188.4
[M+Na-2H]- 258.03187 154.0
[M]+ 237.05665 152.6
[M]- 237.05775 152.6
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.