CID 47542

1,3-benzodioxole, 2-methyl-2-(2-(n-methyl-n-phenethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC1(OC2=CC=CC=C2O1)CCN(C)CCC3=CC=CC=C3
InChI
InChI=1S/C19H23NO2/c1-19(21-17-10-6-7-11-18(17)22-19)13-15-20(2)14-12-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3
InChIKey
RANIXVGHJWCBRW-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 172.4
[M+Na]+ 320.16210 178.6
[M-H]- 296.16560 182.1
[M+NH4]+ 315.20670 189.9
[M+K]+ 336.13604 177.7
[M+H-H2O]+ 280.17014 164.8
[M+HCOO]- 342.17108 194.3
[M+CH3COO]- 356.18673 207.9
[M+Na-2H]- 318.14755 178.4
[M]+ 297.17233 176.5
[M]- 297.17343 176.5
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.