CID 410200

N-benzyl-3,4-dimethoxyamphetamine

Structural Information

Molecular Formula
C18H23NO2
SMILES
CC(CC1=CC(=C(C=C1)OC)OC)NCC2=CC=CC=C2
InChI
InChI=1S/C18H23NO2/c1-14(19-13-15-7-5-4-6-8-15)11-16-9-10-17(20-2)18(12-16)21-3/h4-10,12,14,19H,11,13H2,1-3H3
InChIKey
LFUSPXMHTMBJNP-UHFFFAOYSA-N
Compound name
N-benzyl-1-(3,4-dimethoxyphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

285.17288 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.180156 169.0
[M+Na]+ 308.162098 174.4
[M-H]- 284.165604 175.2
[M+NH4]+ 303.206703 184.3
[M+K]+ 324.136038 171.1
[M+H-H2O]+ 268.170140 160.5
[M+HCOO]- 330.171081 192.4
[M+CH3COO]- 344.186731 206.1
[M+Na-2H]- 306.147546 172.5
[M]+ 285.17233142 171.7
[M]- 285.17342858 171.7
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.