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 199.1
[M+Na]+ 435.18905 204.9
[M-H]- 411.19255 210.8
[M+NH4]+ 430.23365 210.4
[M+K]+ 451.16299 203.9
[M+H-H2O]+ 395.19709 190.6
[M+HCOO]- 457.19803 219.0
[M+CH3COO]- 471.21368 228.6
[M+Na-2H]- 433.17450 198.1
[M]+ 412.19928 205.8
[M]- 412.20038 205.8
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.