CID 2121616

4-(chloromethyl)-n-(4-methoxyphenyl)-1,3-thiazol-2-amine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂OS

SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)CCl

InChI

InChI=1S/C11H11ClN2OS/c1-15-10-4-2-8(3-5-10)13-11-14-9(6-12)7-16-11/h2-5,7H,6H2,1H3,(H,13,14)

InChIKey

GRVYFWDXLXBKSO-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.02806 Da
Monoisotopic Mass: 3.2
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]+	255.035336	152.9
[M+Na]+	277.017278	162.9
[M-H]-	253.020784	159.1
[M+NH4]+	272.061883	171.9
[M+K]+	292.991218	157.7
[M+H-H2O]+	237.025320	146.4
[M+HCOO]-	299.026261	169.3
[M+CH3COO]-	313.041911	166.0
[M+Na-2H]-	275.002726	155.4
[M]+	254.02751142	157.9
[M]-	254.02860858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.