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

15
Patents

345.194 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.201276 183.5
[M+Na]+ 368.183218 189.8
[M-H]- 344.186724 190.1
[M+NH4]+ 363.227823 196.9
[M+K]+ 384.157158 187.1
[M+H-H2O]+ 328.191260 174.4
[M+HCOO]- 390.192201 207.6
[M+CH3COO]- 404.207851 217.8
[M+Na-2H]- 366.168666 185.9
[M]+ 345.19345142 191.2
[M]- 345.19454858 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