CID 3053495

Phenethylamine, 3,4-methylenedioxy-n-phenethyl-, hydrobromide

Structural Information

Molecular Formula
C17H19NO2
SMILES
C1OC2=C(O1)C=C(C=C2)CCNCCC3=CC=CC=C3
InChI
InChI=1S/C17H19NO2/c1-2-4-14(5-3-1)8-10-18-11-9-15-6-7-16-17(12-15)20-13-19-16/h1-7,12,18H,8-11,13H2
InChIKey
QSANLIRFIFHUTQ-UHFFFAOYSA-N
Compound name
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.14157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.148846 161.9
[M+Na]+ 292.130788 167.8
[M-H]- 268.134294 170.1
[M+NH4]+ 287.175393 177.8
[M+K]+ 308.104728 165.7
[M+H-H2O]+ 252.138830 154.5
[M+HCOO]- 314.139771 184.0
[M+CH3COO]- 328.155421 173.9
[M+Na-2H]- 290.116236 168.9
[M]+ 269.14102142 163.9
[M]- 269.14211858 163.9
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.