CID 198061

Fenaperone hydrochloride

Structural Information

Molecular Formula
C21H29FN2O3
SMILES
C1CCC(CC1)OC(=O)N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H29FN2O3/c22-18-10-8-17(9-11-18)20(25)7-4-12-23-13-15-24(16-14-23)21(26)27-19-5-2-1-3-6-19/h8-11,19H,1-7,12-16H2
InChIKey
OCHNIEZVJROLLV-UHFFFAOYSA-N
Compound name
cyclohexyl 4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

376.21622 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22350 193.0
[M+Na]+ 399.20544 193.2
[M-H]- 375.20894 195.7
[M+NH4]+ 394.25004 200.6
[M+K]+ 415.17938 189.0
[M+H-H2O]+ 359.21348 180.5
[M+HCOO]- 421.21442 202.7
[M+CH3COO]- 435.23007 216.3
[M+Na-2H]- 397.19089 189.3
[M]+ 376.21567 185.2
[M]- 376.21677 185.2
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