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

0
Patents

313.1314 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 170.5
[M+Na]+ 336.12062 177.1
[M-H]- 312.12412 181.0
[M+NH4]+ 331.16522 184.7
[M+K]+ 352.09456 177.6
[M+H-H2O]+ 296.12866 165.3
[M+HCOO]- 358.12960 189.6
[M+CH3COO]- 372.14525 182.5
[M+Na-2H]- 334.10607 176.3
[M]+ 313.13085 175.5
[M]- 313.13195 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

No patent data available for this compound.