CID 3070946

N,n-dimethyl-1-(4-methoxyphenyl)-2-(3,4-dimethoxyphenyl)ethylamine hydrochloride

Structural Information

Molecular Formula
C19H25NO3
SMILES
CN(C)C(CC1=CC(=C(C=C1)OC)OC)C2=CC=C(C=C2)OC
InChI
InChI=1S/C19H25NO3/c1-20(2)17(15-7-9-16(21-3)10-8-15)12-14-6-11-18(22-4)19(13-14)23-5/h6-11,13,17H,12H2,1-5H3
InChIKey
SSKDLSJKGLQUOG-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 176.4
[M+Na]+ 338.17266 182.3
[M-H]- 314.17616 184.4
[M+NH4]+ 333.21726 191.4
[M+K]+ 354.14660 181.1
[M+H-H2O]+ 298.18070 167.6
[M+HCOO]- 360.18164 200.2
[M+CH3COO]- 374.19729 215.7
[M+Na-2H]- 336.15811 178.0
[M]+ 315.18289 182.6
[M]- 315.18399 182.6
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