CID 137699946

Ortho-fibf

Structural Information

Molecular Formula

C₂₃H₂₉FN₂O

SMILES

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

InChI

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

InChIKey

NEWBKHYGTFTPMC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2
Patents: 368.22638 Da
Monoisotopic Mass: 5.0
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	191.9
[M+Na]+	391.215598	193.5
[M-H]-	367.219104	198.3
[M+NH4]+	386.260203	202.0
[M+K]+	407.189538	189.1
[M+H-H2O]+	351.223640	179.9
[M+HCOO]-	413.224581	207.6
[M+CH3COO]-	427.240231	223.8
[M+Na-2H]-	389.201046	189.9
[M]+	368.22583142	187.2
[M]-	368.22692858	187.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe