CID 9927707

Ly392098

Structural Information

Molecular Formula

C₁₈H₂₂FNO₂S

SMILES

CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CC=CC=C2F

InChI

InChI=1S/C18H22FNO2S/c1-13(2)23(21,22)20-12-14(3)15-8-10-16(11-9-15)17-6-4-5-7-18(17)19/h4-11,13-14,20H,12H2,1-3H3

InChIKey

CECANHFDVPUVMI-UHFFFAOYSA-N

Compound name

N-[2-[4-(2-fluorophenyl)phenyl]propyl]propane-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 13
Patents: 335.13553 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	336.142806	176.6
[M+Na]+	358.124748	182.7
[M-H]-	334.128254	181.8
[M+NH4]+	353.169353	190.4
[M+K]+	374.098688	177.8
[M+H-H2O]+	318.132790	168.0
[M+HCOO]-	380.133731	191.5
[M+CH3COO]-	394.149381	212.1
[M+Na-2H]-	356.110196	176.9
[M]+	335.13498142	178.0
[M]-	335.13607858	178.0

Literature stripe

literature stripe

Patent stripe

patents stripe