CID 3070939

87203-63-2

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

1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.