CID 3066417

1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidino-1-propanol hydrochloride

Structural Information

Molecular Formula
C20H24FNO2
SMILES
COC1=C(C=C(C=C1)C(C(CN2CCCC2)C3=CC=CC=C3)O)F
InChI
InChI=1S/C20H24FNO2/c1-24-19-10-9-16(13-18(19)21)20(23)17(14-22-11-5-6-12-22)15-7-3-2-4-8-15/h2-4,7-10,13,17,20,23H,5-6,11-12,14H2,1H3
InChIKey
RZXCWNNAJOUUQF-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1791 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18638 179.2
[M+Na]+ 352.16832 182.9
[M-H]- 328.17182 184.0
[M+NH4]+ 347.21292 192.0
[M+K]+ 368.14226 178.2
[M+H-H2O]+ 312.17636 169.1
[M+HCOO]- 374.17730 195.2
[M+CH3COO]- 388.19295 207.1
[M+Na-2H]- 350.15377 176.9
[M]+ 329.17855 175.6
[M]- 329.17965 175.6
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.