CID 3043815

N-diethylaminopropyl-1-(3,4-methylenedioxyphenyl)-2-phenylethylamine

Structural Information

Molecular Formula
C22H30N2O2
SMILES
CCN(CC)CCCNC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C22H30N2O2/c1-3-24(4-2)14-8-13-23-20(15-18-9-6-5-7-10-18)19-11-12-21-22(16-19)26-17-25-21/h5-7,9-12,16,20,23H,3-4,8,13-15,17H2,1-2H3
InChIKey
JLLNQICXHRKWQP-UHFFFAOYSA-N
Compound name
N-[1-(1,3-benzodioxol-5-yl)-2-phenylethyl]-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.23074 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.23802 191.0
[M+Na]+ 377.21996 201.8
[M+NH4]+ 372.26456 198.9
[M+K]+ 393.19390 195.9
[M-H]- 353.22346 199.1
[M+Na-2H]- 375.20541 196.1
[M]+ 354.23019 194.8
[M]- 354.23129 194.8
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.