CID 24261841

4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine dihydrochloride

Structural Information

Molecular Formula

C₁₄H₁₅FN₂S

SMILES

C1CNCCC1C2=NC(=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H15FN2S/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11/h1-4,9,11,16H,5-8H2

InChIKey

GBHSXLRXBKYZDB-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 262.094 Da
Monoisotopic Mass: 2.9
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]+	263.101276	156.5
[M+Na]+	285.083218	163.9
[M-H]-	261.086724	160.8
[M+NH4]+	280.127823	172.1
[M+K]+	301.057158	157.7
[M+H-H2O]+	245.091260	147.5
[M+HCOO]-	307.092201	169.0
[M+CH3COO]-	321.107851	167.1
[M+Na-2H]-	283.068666	155.8
[M]+	262.09345142	151.2
[M]-	262.09454858	151.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe