CID 58214

Butyrophenone, 4'-fluoro-4-(4-(1-indolinyl)-1,2,5,6-tetrahydro-1-pyridyl)-

Structural Information

Molecular Formula

C₂₃H₂₅FN₂O

SMILES

C1CN(CC=C1N2CCC3=CC=CC=C32)CCCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN2O/c24-20-9-7-19(8-10-20)23(27)6-3-14-25-15-12-21(13-16-25)26-17-11-18-4-1-2-5-22(18)26/h1-2,4-5,7-10,12H,3,6,11,13-17H2

InChIKey

GPHWEUBRJNLKFC-UHFFFAOYSA-N

Compound name

4-[4-(2,3-dihydroindol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-fluorophenyl)butan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 364.1951 Da
Monoisotopic Mass: 4.2
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]+	365.202376	190.1
[M+Na]+	387.184318	194.7
[M-H]-	363.187824	195.3
[M+NH4]+	382.228923	201.6
[M+K]+	403.158258	187.6
[M+H-H2O]+	347.192360	178.0
[M+HCOO]-	409.193301	204.3
[M+CH3COO]-	423.208951	198.0
[M+Na-2H]-	385.169766	188.4
[M]+	364.19455142	185.8
[M]-	364.19564858	185.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.