CID 119032006

2-chloro-n-{4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl}acetamide hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₈ClN₃OS

SMILES

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)CCl

InChI

InChI=1S/C12H18ClN3OS/c1-9-2-4-16(5-3-9)7-10-8-18-12(14-10)15-11(17)6-13/h8-9H,2-7H2,1H3,(H,14,15,17)

InChIKey

MQMMGJSKUKSQBX-UHFFFAOYSA-N

Compound name

2-chloro-N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 287.0859 Da
Monoisotopic Mass: 2.2
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]+	288.093176	165.1
[M+Na]+	310.075118	171.5
[M-H]-	286.078624	168.7
[M+NH4]+	305.119723	181.1
[M+K]+	326.049058	166.7
[M+H-H2O]+	270.083160	157.7
[M+HCOO]-	332.084101	174.8
[M+CH3COO]-	346.099751	198.2
[M+Na-2H]-	308.060566	163.2
[M]+	287.08535142	165.4
[M]-	287.08644858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.