CID 47536

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

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1(OC2=CC=CC=C2O1)CCNCCC3=CC=CC=C3
InChI
InChI=1S/C18H21NO2/c1-18(20-16-9-5-6-10-17(16)21-18)12-14-19-13-11-15-7-3-2-4-8-15/h2-10,19H,11-14H2,1H3
InChIKey
YVTJJUDZDPWFGS-UHFFFAOYSA-N
Compound name
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

283.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.3
[M+Na]+ 306.14645 180.5
[M+NH4]+ 301.19105 177.8
[M+K]+ 322.12039 172.3
[M-H]- 282.14995 175.2
[M+Na-2H]- 304.13190 175.5
[M]+ 283.15668 171.7
[M]- 283.15778 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.