CID 12426301

4-(4-methylbenzenesulfonyl)-1h-pyrazol-5-amine hydrochloride

Structural Information

Molecular Formula
C10H11N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=C(NN=C2)N
InChI
InChI=1S/C10H11N3O2S/c1-7-2-4-8(5-3-7)16(14,15)9-6-12-13-10(9)11/h2-6H,1H3,(H3,11,12,13)
InChIKey
BNORKAMOYBNKFB-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)sulfonyl-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0572 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06448 150.9
[M+Na]+ 260.04642 161.0
[M-H]- 236.04992 154.5
[M+NH4]+ 255.09102 167.4
[M+K]+ 276.02036 156.0
[M+H-H2O]+ 220.05446 144.2
[M+HCOO]- 282.05540 167.9
[M+CH3COO]- 296.07105 186.0
[M+Na-2H]- 258.03187 153.8
[M]+ 237.05665 150.9
[M]- 237.05775 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.