CID 200308

1507-60-4

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCCC1(CCN(C1)CCC(C2=CC=CC=C2)O)C3=CC(=CC=C3)OC
InChI
InChI=1S/C23H31NO2/c1-3-13-23(20-10-7-11-21(17-20)26-2)14-16-24(18-23)15-12-22(25)19-8-5-4-6-9-19/h4-11,17,22,25H,3,12-16,18H2,1-2H3
InChIKey
GKPJZFYYTCUQBV-UHFFFAOYSA-N
Compound name
3-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-yl]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.242746 189.6
[M+Na]+ 376.224688 193.3
[M-H]- 352.228194 195.6
[M+NH4]+ 371.269293 203.6
[M+K]+ 392.198628 188.1
[M+H-H2O]+ 336.232730 180.2
[M+HCOO]- 398.233671 206.8
[M+CH3COO]- 412.249321 211.9
[M+Na-2H]- 374.210136 188.5
[M]+ 353.23492142 188.9
[M]- 353.23601858 188.9
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.