CID 3052063

Alpha,alpha-dimethyl-n-veratrylphenethylamine hydrochloride

Structural Information

Molecular Formula
C19H25NO2
SMILES
CC(C)(CC1=CC=CC=C1)NCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C19H25NO2/c1-19(2,13-15-8-6-5-7-9-15)20-14-16-10-11-17(21-3)18(12-16)22-4/h5-12,20H,13-14H2,1-4H3
InChIKey
OFYUBNNBSAGSHY-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-1-phenylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.18854 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.19582 174.1
[M+Na]+ 322.17776 187.3
[M+NH4]+ 317.22236 182.1
[M+K]+ 338.15170 179.4
[M-H]- 298.18126 178.8
[M+Na-2H]- 320.16321 182.8
[M]+ 299.18799 177.5
[M]- 299.18909 177.5
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.