CID 15501

3,3',4,4'-bis(methylenedioxy)diphenethylamine hydrochloride

Structural Information

Molecular Formula
C18H19NO4
SMILES
C1OC2=C(O1)C=C(C=C2)CCNCCC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C18H19NO4/c1-3-15-17(22-11-20-15)9-13(1)5-7-19-8-6-14-2-4-16-18(10-14)23-12-21-16/h1-4,9-10,19H,5-8,11-12H2
InChIKey
YRROTAXHOMYTBA-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-N-[2-(1,3-benzodioxol-5-yl)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.1314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.138676 170.5
[M+Na]+ 336.120618 177.1
[M-H]- 312.124124 181.0
[M+NH4]+ 331.165223 184.7
[M+K]+ 352.094558 177.6
[M+H-H2O]+ 296.128660 165.3
[M+HCOO]- 358.129601 189.6
[M+CH3COO]- 372.145251 182.5
[M+Na-2H]- 334.106066 176.3
[M]+ 313.13085142 175.5
[M]- 313.13194858 175.5
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

patents stripe