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 173.8
[M+Na]+ 342.11342 179.9
[M-H]- 318.11692 180.0
[M+NH4]+ 337.15802 188.0
[M+K]+ 358.08736 175.1
[M+H-H2O]+ 302.12146 165.6
[M+HCOO]- 364.12240 192.5
[M+CH3COO]- 378.13805 205.7
[M+Na-2H]- 340.09887 178.0
[M]+ 319.12365 178.0
[M]- 319.12475 178.0
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.