CID 3064409

Phenethylamine, 3,3'-methylenebis(4-methoxy-n-methyl-, dihydrochloride

Structural Information

Molecular Formula
C21H30N2O2
SMILES
CNCCC1=CC(=C(C=C1)OC)CC2=C(C=CC(=C2)CCNC)OC
InChI
InChI=1S/C21H30N2O2/c1-22-11-9-16-5-7-20(24-3)18(13-16)15-19-14-17(10-12-23-2)6-8-21(19)25-4/h5-8,13-14,22-23H,9-12,15H2,1-4H3
InChIKey
UFUQUTXYYZUJFT-UHFFFAOYSA-N
Compound name
2-[4-methoxy-3-[[2-methoxy-5-[2-(methylamino)ethyl]phenyl]methyl]phenyl]-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.23074 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.23802 187.4
[M+Na]+ 365.21996 199.9
[M+NH4]+ 360.26456 194.6
[M+K]+ 381.19390 191.0
[M-H]- 341.22346 192.9
[M+Na-2H]- 363.20541 194.7
[M]+ 342.23019 190.7
[M]- 342.23129 190.7
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.