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]+ 413.207106 199.1
[M+Na]+ 435.189048 204.9
[M-H]- 411.192554 210.8
[M+NH4]+ 430.233653 210.4
[M+K]+ 451.162988 203.9
[M+H-H2O]+ 395.197090 190.6
[M+HCOO]- 457.198031 219.0
[M+CH3COO]- 471.213681 228.6
[M+Na-2H]- 433.174496 198.1
[M]+ 412.19928142 205.8
[M]- 412.20037858 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.