CID 118753289

Tq73veb8cx

Structural Information

Molecular Formula

C₁₇H₂₀FN₃OS

SMILES

CC1=NC(=C(S1)C2=CC=C(C=C2)F)C(=O)N3CCCC[C@H]3CN

InChI

InChI=1S/C17H20FN3OS/c1-11-20-15(16(23-11)12-5-7-13(18)8-6-12)17(22)21-9-3-2-4-14(21)10-19/h5-8,14H,2-4,9-10,19H2,1H3/t14-/m0/s1

InChIKey

ROGJKNXMZYYHHM-AWEZNQCLSA-N

Compound name

[(2S)-2-(aminomethyl)piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 333.1311 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]+	334.138376	177.2
[M+Na]+	356.120318	184.2
[M-H]-	332.123824	182.6
[M+NH4]+	351.164923	190.3
[M+K]+	372.094258	178.1
[M+H-H2O]+	316.128360	167.6
[M+HCOO]-	378.129301	189.7
[M+CH3COO]-	392.144951	186.6
[M+Na-2H]-	354.105766	172.9
[M]+	333.13055142	173.9
[M]-	333.13164858	173.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.