CID 447297

4-methyl-n-methyl-n-(2-phenyl-2h-pyrazol-3-yl)benzenesulfonamide

Structural Information

Molecular Formula
C17H17N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=NN2C3=CC=CC=C3
InChI
InChI=1S/C17H17N3O2S/c1-14-8-10-16(11-9-14)23(21,22)19(2)17-12-13-18-20(17)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKey
KRHPBWNETCEFGS-UHFFFAOYSA-N
Compound name
N,4-dimethyl-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

327.10416 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11144 175.8
[M+Na]+ 350.09338 184.8
[M-H]- 326.09688 185.3
[M+NH4]+ 345.13798 189.7
[M+K]+ 366.06732 180.3
[M+H-H2O]+ 310.10142 166.7
[M+HCOO]- 372.10236 194.5
[M+CH3COO]- 386.11801 209.2
[M+Na-2H]- 348.07883 178.6
[M]+ 327.10361 179.7
[M]- 327.10471 179.7
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

patents stripe