CID 13362276

94221-37-1

Structural Information

Molecular Formula
C23H28N2O5
SMILES
CN1CC(CC1=NCCC2=CC(=C(C=C2)OC)OC)COC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C23H28N2O5/c1-25-13-17(14-28-18-5-7-20-22(12-18)30-15-29-20)11-23(25)24-9-8-16-4-6-19(26-2)21(10-16)27-3/h4-7,10,12,17H,8-9,11,13-15H2,1-3H3
InChIKey
NEDOZIWKAOEWSS-UHFFFAOYSA-N
Compound name
4-(1,3-benzodioxol-5-yloxymethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.19983 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20711 199.7
[M+Na]+ 435.18905 211.1
[M+NH4]+ 430.23365 206.1
[M+K]+ 451.16299 208.4
[M-H]- 411.19255 207.2
[M+Na-2H]- 433.17450 203.4
[M]+ 412.19928 203.3
[M]- 412.20038 203.3
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.