CID 3049004

2-propanamine, 1,3-bis(3,4-methylenedioxyphenoxy)-

Structural Information

Molecular Formula
C17H17NO6
SMILES
C1OC2=C(O1)C=C(C=C2)OCC(COC3=CC4=C(C=C3)OCO4)N
InChI
InChI=1S/C17H17NO6/c18-11(7-19-12-1-3-14-16(5-12)23-9-21-14)8-20-13-2-4-15-17(6-13)24-10-22-15/h1-6,11H,7-10,18H2
InChIKey
XIWKALDXYTURRQ-UHFFFAOYSA-N
Compound name
1,3-bis(1,3-benzodioxol-5-yloxy)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1056 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11288 171.8
[M+Na]+ 354.09482 178.0
[M-H]- 330.09832 182.2
[M+NH4]+ 349.13942 184.7
[M+K]+ 370.06876 180.3
[M+H-H2O]+ 314.10286 166.7
[M+HCOO]- 376.10380 189.9
[M+CH3COO]- 390.11945 183.5
[M+Na-2H]- 352.08027 176.5
[M]+ 331.10505 177.8
[M]- 331.10615 177.8
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.