CID 21911644

302964-24-5

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃OS

SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)N

InChI

InChI=1S/C11H10ClN3OS/c1-6-3-2-4-7(12)9(6)15-10(16)8-5-14-11(13)17-8/h2-5H,1H3,(H2,13,14)(H,15,16)

InChIKey

VVOXTERFTAJMAA-UHFFFAOYSA-N

Compound name

2-amino-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 182
Patents: 267.02332 Da
Monoisotopic Mass: 2.8
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]+	268.03060	157.5
[M+Na]+	290.01254	169.4
[M+NH4]+	285.05714	165.8
[M+K]+	305.98648	162.8
[M-H]-	266.01604	161.5
[M+Na-2H]-	287.99799	164.1
[M]+	267.02277	160.9
[M]-	267.02387	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe