CID 4366786

1049753-99-2

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂OS

SMILES

CC1=CC(=C(C=C1Cl)C2=CSC(=N2)N)OC

InChI

InChI=1S/C11H11ClN2OS/c1-6-3-10(15-2)7(4-8(6)12)9-5-16-11(13)14-9/h3-5H,1-2H3,(H2,13,14)

InChIKey

QFESHQNQJGAFDQ-UHFFFAOYSA-N

Compound name

4-(5-chloro-2-methoxy-4-methylphenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	153.4
[M+Na]+	277.017278	165.2
[M-H]-	253.020784	159.9
[M+NH4]+	272.061883	172.8
[M+K]+	292.991218	159.6
[M+H-H2O]+	237.025320	147.6
[M+HCOO]-	299.026261	169.1
[M+CH3COO]-	313.041911	193.8
[M+Na-2H]-	275.002726	153.5
[M]+	254.02751142	158.3
[M]-	254.02860858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe