CID 29749

2-(3,4-dimethoxyphenyl)-n-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine

Structural Information

Molecular Formula
C20H27NO4
SMILES
COC1=C(C=C(C=C1)CCNCCC2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C20H27NO4/c1-22-17-7-5-15(13-19(17)24-3)9-11-21-12-10-16-6-8-18(23-2)20(14-16)25-4/h5-8,13-14,21H,9-12H2,1-4H3
InChIKey
YSAXSWPDOFHENC-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

345.194 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20128 183.5
[M+Na]+ 368.18322 189.8
[M-H]- 344.18672 190.1
[M+NH4]+ 363.22782 196.9
[M+K]+ 384.15716 187.1
[M+H-H2O]+ 328.19126 174.4
[M+HCOO]- 390.19220 207.6
[M+CH3COO]- 404.20785 217.8
[M+Na-2H]- 366.16867 185.9
[M]+ 345.19345 191.2
[M]- 345.19455 191.2
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

patents stripe