CID 3050838

Phenethylamine, n-(2-(4-methoxyphenylsulfonyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H21NO3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)CCNCCC2=CC=CC=C2
InChI
InChI=1S/C17H21NO3S/c1-21-16-7-9-17(10-8-16)22(19,20)14-13-18-12-11-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3
InChIKey
QTZQHFDPUJLWTB-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)sulfonylethyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13148 174.0
[M+Na]+ 342.11342 186.1
[M+NH4]+ 337.15802 181.4
[M+K]+ 358.08736 176.8
[M-H]- 318.11692 177.8
[M+Na-2H]- 340.09887 182.1
[M]+ 319.12365 177.3
[M]- 319.12475 177.3
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.