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]+ 270.14885 161.9
[M+Na]+ 292.13079 167.8
[M-H]- 268.13429 170.1
[M+NH4]+ 287.17539 177.8
[M+K]+ 308.10473 165.7
[M+H-H2O]+ 252.13883 154.5
[M+HCOO]- 314.13977 184.0
[M+CH3COO]- 328.15542 173.9
[M+Na-2H]- 290.11624 168.9
[M]+ 269.14102 163.9
[M]- 269.14212 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.