CID 3070944

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

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)N(C)C
InChI
InChI=1S/C19H25NO2/c1-14-6-9-16(10-7-14)17(20(2)3)12-15-8-11-18(21-4)19(13-15)22-5/h6-11,13,17H,12H2,1-5H3
InChIKey
MNESLPXBCJLSPT-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-N,N-dimethyl-1-(4-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 173.2
[M+Na]+ 322.17776 179.2
[M-H]- 298.18126 181.2
[M+NH4]+ 317.22236 188.9
[M+K]+ 338.15170 177.3
[M+H-H2O]+ 282.18580 164.6
[M+HCOO]- 344.18674 196.8
[M+CH3COO]- 358.20239 213.7
[M+Na-2H]- 320.16321 174.7
[M]+ 299.18799 177.9
[M]- 299.18909 177.9
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