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 173.3
[M+Na]+ 322.17776 179.1
[M-H]- 298.18126 179.7
[M+NH4]+ 317.22236 188.3
[M+K]+ 338.15170 175.6
[M+H-H2O]+ 282.18580 165.2
[M+HCOO]- 344.18674 195.9
[M+CH3COO]- 358.20239 208.7
[M+Na-2H]- 320.16321 178.4
[M]+ 299.18799 176.6
[M]- 299.18909 176.6
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

No patent data available for this compound.