CID 215356

[2-(3,4-dimethoxyphenyl)ethyl](2-phenylethyl)amine hydrochloride

Structural Information

Molecular Formula
C18H23NO2
SMILES
COC1=C(C=C(C=C1)CCNCCC2=CC=CC=C2)OC
InChI
InChI=1S/C18H23NO2/c1-20-17-9-8-16(14-18(17)21-2)11-13-19-12-10-15-6-4-3-5-7-15/h3-9,14,19H,10-13H2,1-2H3
InChIKey
KCOKWUVYKBPATN-UHFFFAOYSA-N
Compound name
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

285.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 168.4
[M+Na]+ 308.16210 174.1
[M-H]- 284.16560 174.6
[M+NH4]+ 303.20670 183.8
[M+K]+ 324.13604 170.3
[M+H-H2O]+ 268.17014 159.8
[M+HCOO]- 330.17108 192.9
[M+CH3COO]- 344.18673 205.2
[M+Na-2H]- 306.14755 173.2
[M]+ 285.17233 171.7
[M]- 285.17343 171.7
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

patents stripe