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]+ 284.16451 168.0
[M+Na]+ 306.14645 173.6
[M-H]- 282.14995 177.5
[M+NH4]+ 301.19105 184.0
[M+K]+ 322.12039 172.7
[M+H-H2O]+ 266.15449 160.3
[M+HCOO]- 328.15543 190.2
[M+CH3COO]- 342.17108 180.1
[M+Na-2H]- 304.13190 173.5
[M]+ 283.15668 171.5
[M]- 283.15778 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.