CID 218221

Brn 2874831

Structural Information

Molecular Formula
C19H23NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2(CCCC2)CC3=CC=CC=C3
InChI
InChI=1S/C19H23NO2S/c1-16-9-11-18(12-10-16)23(21,22)20-19(13-5-6-14-19)15-17-7-3-2-4-8-17/h2-4,7-12,20H,5-6,13-15H2,1H3
InChIKey
LAAKPEJNRCQYGY-UHFFFAOYSA-N
Compound name
N-(1-benzylcyclopentyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.14496 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.152236 178.1
[M+Na]+ 352.134178 184.1
[M-H]- 328.137684 187.4
[M+NH4]+ 347.178783 195.5
[M+K]+ 368.108118 178.9
[M+H-H2O]+ 312.142220 170.9
[M+HCOO]- 374.143161 195.5
[M+CH3COO]- 388.158811 205.6
[M+Na-2H]- 350.119626 180.8
[M]+ 329.14441142 177.8
[M]- 329.14550858 177.8
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

No patent data available for this compound.