CID 66457

4-methyl-n-(2-methylphenyl)benzenesulfonamide

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C
InChI
InChI=1S/C14H15NO2S/c1-11-7-9-13(10-8-11)18(16,17)15-14-6-4-3-5-12(14)2/h3-10,15H,1-2H3
InChIKey
SIPGNSRRMHEOSA-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

101
Patents

261.08234 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 156.8
[M+Na]+ 284.07156 165.5
[M-H]- 260.07506 164.2
[M+NH4]+ 279.11616 173.9
[M+K]+ 300.04550 160.7
[M+H-H2O]+ 244.07960 149.8
[M+HCOO]- 306.08054 176.3
[M+CH3COO]- 320.09619 195.8
[M+Na-2H]- 282.05701 161.7
[M]+ 261.08179 159.1
[M]- 261.08289 159.1
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