CID 60703

Eliprodil

Structural Information

Molecular Formula
C20H23ClFNO
SMILES
C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C20H23ClFNO/c21-18-5-3-17(4-6-18)20(24)14-23-11-9-16(10-12-23)13-15-1-7-19(22)8-2-15/h1-8,16,20,24H,9-14H2
InChIKey
GGUSQTSTQSHJAH-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

132
References

4246
Patents

347.14523 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15251 182.1
[M+Na]+ 370.13445 187.1
[M-H]- 346.13795 186.3
[M+NH4]+ 365.17905 193.5
[M+K]+ 386.10839 179.6
[M+H-H2O]+ 330.14249 171.9
[M+HCOO]- 392.14343 192.1
[M+CH3COO]- 406.15908 190.3
[M+Na-2H]- 368.11990 181.4
[M]+ 347.14468 178.2
[M]- 347.14578 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe