CID 3070939

1-(4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)ethylamine hydrochloride

Structural Information

Molecular Formula
C17H21NO3
SMILES
COC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)N
InChI
InChI=1S/C17H21NO3/c1-19-14-7-5-13(6-8-14)15(18)10-12-4-9-16(20-2)17(11-12)21-3/h4-9,11,15H,10,18H2,1-3H3
InChIKey
MGKGNECYNHKCLJ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 168.0
[M+Na]+ 310.14135 174.6
[M-H]- 286.14485 174.4
[M+NH4]+ 305.18595 183.2
[M+K]+ 326.11529 172.0
[M+H-H2O]+ 270.14939 159.7
[M+HCOO]- 332.15033 191.3
[M+CH3COO]- 346.16598 205.8
[M+Na-2H]- 308.12680 170.3
[M]+ 287.15158 171.2
[M]- 287.15268 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe