CID 3066420

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

Structural Information

Molecular Formula
C21H26FNO2
SMILES
COC1=C(C=C(C=C1)C(C(CN2CCCCC2)C3=CC=CC=C3)O)F
InChI
InChI=1S/C21H26FNO2/c1-25-20-11-10-17(14-19(20)22)21(24)18(16-8-4-2-5-9-16)15-23-12-6-3-7-13-23/h2,4-5,8-11,14,18,21,24H,3,6-7,12-13,15H2,1H3
InChIKey
MYLHJWVTMYGUNH-UHFFFAOYSA-N
Compound name
1-(3-fluoro-4-methoxyphenyl)-2-phenyl-3-piperidin-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.19476 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20204 183.7
[M+Na]+ 366.18398 186.0
[M-H]- 342.18748 187.6
[M+NH4]+ 361.22858 193.8
[M+K]+ 382.15792 181.1
[M+H-H2O]+ 326.19202 172.6
[M+HCOO]- 388.19296 197.0
[M+CH3COO]- 402.20861 210.7
[M+Na-2H]- 364.16943 182.5
[M]+ 343.19421 178.0
[M]- 343.19531 178.0
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.