CID 133112

Ly 302148

Structural Information

Molecular Formula

C₁₉H₂₃FN₄

SMILES

CN1C=C(C=N1)CCN2CCC(CC2)C3=CNC4=C3C=C(C=C4)F

InChI

InChI=1S/C19H23FN4/c1-23-13-14(11-22-23)4-7-24-8-5-15(6-9-24)18-12-21-19-3-2-16(20)10-17(18)19/h2-3,10-13,15,21H,4-9H2,1H3

InChIKey

RFIDURCIAHBFRJ-UHFFFAOYSA-N

Compound name

5-fluoro-3-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-4-yl]-1H-indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 326.19067 Da
Monoisotopic Mass: 3.0
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]+	327.19795	178.5
[M+Na]+	349.17989	186.7
[M-H]-	325.18339	181.6
[M+NH4]+	344.22449	191.0
[M+K]+	365.15383	179.1
[M+H-H2O]+	309.18793	167.0
[M+HCOO]-	371.18887	193.1
[M+CH3COO]-	385.20452	187.6
[M+Na-2H]-	347.16534	176.8
[M]+	326.19012	175.2
[M]-	326.19122	175.2

Literature stripe

literature stripe

Patent stripe

patents stripe