CID 205410

Piperazine, 1-methyl-4-(2-(4-methyl-5-thiazolyl)ethyl)-, trihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₉N₃S

SMILES

CC1=C(SC=N1)CCN2CCN(CC2)C

InChI

InChI=1S/C11H19N3S/c1-10-11(15-9-12-10)3-4-14-7-5-13(2)6-8-14/h9H,3-8H2,1-2H3

InChIKey

JDAFFLDZKAYDRN-UHFFFAOYSA-N

Compound name

4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.12997 Da
Monoisotopic Mass: 1.4
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]+	226.137246	151.6
[M+Na]+	248.119188	159.2
[M-H]-	224.122694	154.1
[M+NH4]+	243.163793	168.6
[M+K]+	264.093128	155.8
[M+H-H2O]+	208.127230	143.4
[M+HCOO]-	270.128171	164.7
[M+CH3COO]-	284.143821	162.9
[M+Na-2H]-	246.104636	150.7
[M]+	225.12942142	151.0
[M]-	225.13051858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.