CID 129522102

Ortho-fbf

Structural Information

Molecular Formula

C₂₃H₂₉FN₂O

SMILES

CCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F

InChI

InChI=1S/C23H29FN2O/c1-2-8-23(27)26(22-12-7-6-11-21(22)24)20-14-17-25(18-15-20)16-13-19-9-4-3-5-10-19/h3-7,9-12,20H,2,8,13-18H2,1H3

InChIKey

NLSYMTDGNNFMCX-UHFFFAOYSA-N

Compound name

N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 368.22638 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	369.233656	192.2
[M+Na]+	391.215598	194.1
[M-H]-	367.219104	198.4
[M+NH4]+	386.260203	202.3
[M+K]+	407.189538	189.1
[M+H-H2O]+	351.223640	179.9
[M+HCOO]-	413.224581	208.9
[M+CH3COO]-	427.240231	222.9
[M+Na-2H]-	389.201046	191.2
[M]+	368.22583142	188.0
[M]-	368.22692858	188.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe