CID 201604

4-methyl-n-(3-methylphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C
InChI
InChI=1S/C14H15NO2S/c1-11-6-8-14(9-7-11)18(16,17)15-13-5-3-4-12(2)10-13/h3-10,15H,1-2H3
InChIKey
OQNOKDDGYDARBG-UHFFFAOYSA-N
Compound name
4-methyl-N-(3-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

261.08234 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 158.0
[M+Na]+ 284.07156 171.6
[M+NH4]+ 279.11616 166.5
[M+K]+ 300.04550 162.7
[M-H]- 260.07506 162.5
[M+Na-2H]- 282.05701 167.0
[M]+ 261.08179 161.8
[M]- 261.08289 161.8
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