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]+ 330.15224 178.1
[M+Na]+ 352.13418 184.1
[M-H]- 328.13768 187.4
[M+NH4]+ 347.17878 195.5
[M+K]+ 368.10812 178.9
[M+H-H2O]+ 312.14222 170.9
[M+HCOO]- 374.14316 195.5
[M+CH3COO]- 388.15881 205.6
[M+Na-2H]- 350.11963 180.8
[M]+ 329.14441 177.8
[M]- 329.14551 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.