CID 3053501

Phenethylamine, 3,4-methylenedioxy-n-methyl-n-(2-phenethyl)-, hydrochloride

Structural Information

Molecular Formula
C18H21NO2
SMILES
CN(CCC1=CC=CC=C1)CCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C18H21NO2/c1-19(11-9-15-5-3-2-4-6-15)12-10-16-7-8-17-18(13-16)21-14-20-17/h2-8,13H,9-12,14H2,1H3
InChIKey
ZDGQEQGZRYHJOE-UHFFFAOYSA-N
Compound name
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-methyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.164506 168.0
[M+Na]+ 306.146448 173.6
[M-H]- 282.149954 177.5
[M+NH4]+ 301.191053 184.0
[M+K]+ 322.120388 172.7
[M+H-H2O]+ 266.154490 160.3
[M+HCOO]- 328.155431 190.2
[M+CH3COO]- 342.171081 180.1
[M+Na-2H]- 304.131896 173.5
[M]+ 283.15668142 171.5
[M]- 283.15777858 171.5
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.