CID 60873089

3-amino-4-(4-methyl-1h-pyrazol-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C10H12N4O2S
SMILES
CC1=CN(N=C1)C2=C(C=C(C=C2)S(=O)(=O)N)N
InChI
InChI=1S/C10H12N4O2S/c1-7-5-13-14(6-7)10-3-2-8(4-9(10)11)17(12,15)16/h2-6H,11H2,1H3,(H2,12,15,16)
InChIKey
SMBSYANYUYAZOT-UHFFFAOYSA-N
Compound name
3-amino-4-(4-methylpyrazol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0681 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07538 154.5
[M+Na]+ 275.05732 164.9
[M-H]- 251.06082 159.2
[M+NH4]+ 270.10192 170.6
[M+K]+ 291.03126 160.2
[M+H-H2O]+ 235.06536 147.3
[M+HCOO]- 297.06630 173.2
[M+CH3COO]- 311.08195 194.2
[M+Na-2H]- 273.04277 156.9
[M]+ 252.06755 154.9
[M]- 252.06865 154.9
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.