CID 99969

N-(1-phenylethyl)benzenesulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

261.08234 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 157.3
[M+Na]+ 284.07156 163.8
[M-H]- 260.07506 163.9
[M+NH4]+ 279.11616 173.7
[M+K]+ 300.04550 159.6
[M+H-H2O]+ 244.07960 150.0
[M+HCOO]- 306.08054 175.8
[M+CH3COO]- 320.09619 194.3
[M+Na-2H]- 282.05701 162.4
[M]+ 261.08179 158.2
[M]- 261.08289 158.2
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