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]+ 354.24275 189.6
[M+Na]+ 376.22469 193.3
[M-H]- 352.22819 195.6
[M+NH4]+ 371.26929 203.6
[M+K]+ 392.19863 188.1
[M+H-H2O]+ 336.23273 180.2
[M+HCOO]- 398.23367 206.8
[M+CH3COO]- 412.24932 211.9
[M+Na-2H]- 374.21014 188.5
[M]+ 353.23492 188.9
[M]- 353.23602 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.