CID 52828

Brn 5629886

Structural Information

Molecular Formula
C22H26FNO3
SMILES
C1CN(CCC1(CO)C2=CC=CC=C2O)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H26FNO3/c23-18-9-7-17(8-10-18)20(26)6-3-13-24-14-11-22(16-25,12-15-24)19-4-1-2-5-21(19)27/h1-2,4-5,7-10,25,27H,3,6,11-16H2
InChIKey
OQURXKKBHHACJI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[4-(hydroxymethyl)-4-(2-hydroxyphenyl)piperidin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.18967 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19695 190.9
[M+Na]+ 394.17889 194.8
[M-H]- 370.18239 194.1
[M+NH4]+ 389.22349 201.5
[M+K]+ 410.15283 188.9
[M+H-H2O]+ 354.18693 180.3
[M+HCOO]- 416.18787 203.8
[M+CH3COO]- 430.20352 212.5
[M+Na-2H]- 392.16434 190.4
[M]+ 371.18912 186.0
[M]- 371.19022 186.0
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.