CID 206549

28142-46-3

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCCC1(CCN(C1)CCC2=CC=C(C=C2)OC)C3=CC(=CC=C3)OC
InChI
InChI=1S/C23H31NO2/c1-4-13-23(20-6-5-7-22(17-20)26-3)14-16-24(18-23)15-12-19-8-10-21(25-2)11-9-19/h5-11,17H,4,12-16,18H2,1-3H3
InChIKey
NFGPWTXNCTYHDJ-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.242746 188.8
[M+Na]+ 376.224688 194.2
[M-H]- 352.228194 196.5
[M+NH4]+ 371.269293 204.0
[M+K]+ 392.198628 189.4
[M+H-H2O]+ 336.232730 179.1
[M+HCOO]- 398.233671 208.5
[M+CH3COO]- 412.249321 214.7
[M+Na-2H]- 374.210136 188.6
[M]+ 353.23492142 191.0
[M]- 353.23601858 191.0
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.