CID 94958

Alpha-toluenesulfono-p-toluidide

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CC1=CC=C(C=C1)NS(=O)(=O)CC2=CC=CC=C2
InChI
InChI=1S/C14H15NO2S/c1-12-7-9-14(10-8-12)15-18(16,17)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKey
YEIBHZWRMVSTRN-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-1-phenylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

261.08234 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 157.8
[M+Na]+ 284.07156 171.1
[M+NH4]+ 279.11616 166.3
[M+K]+ 300.04550 161.9
[M-H]- 260.07506 162.3
[M+Na-2H]- 282.05701 167.1
[M]+ 261.08179 161.5
[M]- 261.08289 161.5
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

patents stripe