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]+ 320.131476 173.8
[M+Na]+ 342.113418 179.9
[M-H]- 318.116924 180.0
[M+NH4]+ 337.158023 188.0
[M+K]+ 358.087358 175.1
[M+H-H2O]+ 302.121460 165.6
[M+HCOO]- 364.122401 192.5
[M+CH3COO]- 378.138051 205.7
[M+Na-2H]- 340.098866 178.0
[M]+ 319.12365142 178.0
[M]- 319.12474858 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.