CID 3044051

56660-99-2

Structural Information

Molecular Formula
C23H27ClFNO3
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC3(OCCO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H27ClFNO3/c24-20-6-2-18(3-7-20)22(27)11-14-26(15-12-22)13-1-10-23(28-16-17-29-23)19-4-8-21(25)9-5-19/h2-9,27H,1,10-17H2
InChIKey
BUJLOFQXOPFTPX-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.16635 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.17363 200.1
[M+Na]+ 442.15557 205.5
[M-H]- 418.15907 208.9
[M+NH4]+ 437.20017 211.2
[M+K]+ 458.12951 201.0
[M+H-H2O]+ 402.16361 189.6
[M+HCOO]- 464.16455 207.9
[M+CH3COO]- 478.18020 208.0
[M+Na-2H]- 440.14102 199.7
[M]+ 419.16580 198.0
[M]- 419.16690 198.0
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.