CID 21352

N-(3-(p-chlorophenyl)propyl)-3,4-dimethoxy-n-ethylbenzylamine fumarate

Structural Information

Molecular Formula
C20H26ClNO2
SMILES
CCN(CCCC1=CC=C(C=C1)Cl)CC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C20H26ClNO2/c1-4-22(13-5-6-16-7-10-18(21)11-8-16)15-17-9-12-19(23-2)20(14-17)24-3/h7-12,14H,4-6,13,15H2,1-3H3
InChIKey
RTVABDVNNVGBDJ-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1652 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17248 184.1
[M+Na]+ 370.15442 198.8
[M+NH4]+ 365.19902 192.6
[M+K]+ 386.12836 189.2
[M-H]- 346.15792 189.8
[M+Na-2H]- 368.13987 192.7
[M]+ 347.16465 188.3
[M]- 347.16575 188.3
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.