CID 2411018

882232-00-0

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
CC1=NN(C(=C1)N)C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C19H21N3O2S/c1-13(2)15-4-8-17(9-5-15)25(23,24)18-10-6-16(7-11-18)22-19(20)12-14(3)21-22/h4-13H,20H2,1-3H3
InChIKey
LWTOBJGUZAYEAH-UHFFFAOYSA-N
Compound name
5-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylphenyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

355.13544 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 184.0
[M+Na]+ 378.12466 197.1
[M+NH4]+ 373.16926 190.6
[M+K]+ 394.09860 190.9
[M-H]- 354.12816 188.4
[M+Na-2H]- 376.11011 192.0
[M]+ 355.13489 187.6
[M]- 355.13599 187.6
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.