CID 3053509

Phenethylamine, 3,4-methylenedioxy-n-phenethyl-n-propyl-, hydrochloride

Structural Information

Molecular Formula
C20H25NO2
SMILES
CCCN(CCC1=CC=CC=C1)CCC2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C20H25NO2/c1-2-12-21(13-10-17-6-4-3-5-7-17)14-11-18-8-9-19-20(15-18)23-16-22-19/h3-9,15H,2,10-14,16H2,1H3
InChIKey
RBHYNHQHSBZTAV-UHFFFAOYSA-N
Compound name
N-[2-(1,3-benzodioxol-5-yl)ethyl]-N-(2-phenylethyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 177.6
[M+Na]+ 334.17776 182.2
[M-H]- 310.18126 186.6
[M+NH4]+ 329.22236 192.3
[M+K]+ 350.15170 180.8
[M+H-H2O]+ 294.18580 169.4
[M+HCOO]- 356.18674 199.1
[M+CH3COO]- 370.20239 211.3
[M+Na-2H]- 332.16321 181.9
[M]+ 311.18799 181.7
[M]- 311.18909 181.7
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.