CID 70551

1018-36-6

Structural Information

Molecular Formula
C10H13N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC=C(N2)N
InChI
InChI=1S/C10H13N3O2S/c1-8-2-4-9(5-3-8)16(14,15)13-7-6-10(11)12-13/h2-6,12H,7,11H2,1H3
InChIKey
UCIBQVQNLBVGFW-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)sulfonyl-1,3-dihydropyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

239.07285 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.080126 152.1
[M+Na]+ 262.062068 161.1
[M-H]- 238.065574 155.2
[M+NH4]+ 257.106673 168.3
[M+K]+ 278.036008 156.3
[M+H-H2O]+ 222.070110 145.3
[M+HCOO]- 284.071051 167.6
[M+CH3COO]- 298.086701 186.4
[M+Na-2H]- 260.047516 154.0
[M]+ 239.07230142 150.6
[M]- 239.07339858 150.6
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.