CID 5714

Benzeneethanamine, n-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxy-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C21H29NO4
SMILES
CN(CCC1=CC(=C(C=C1)OC)OC)CCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C21H29NO4/c1-22(12-10-16-6-8-18(23-2)20(14-16)25-4)13-11-17-7-9-19(24-3)21(15-17)26-5/h6-9,14-15H,10-13H2,1-5H3
InChIKey
OXZMQFKVNVQMLI-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

53
Patents

359.20966 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21694 188.3
[M+Na]+ 382.19888 201.3
[M+NH4]+ 377.24348 195.1
[M+K]+ 398.17282 193.6
[M-H]- 358.20238 192.9
[M+Na-2H]- 380.18433 195.3
[M]+ 359.20911 191.5
[M]- 359.21021 191.5
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