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

3
Annotation Hits: 0
References: 179
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]+	268.030596	157.4
[M+Na]+	290.012538	167.3
[M-H]-	266.016044	163.5
[M+NH4]+	285.057143	175.4
[M+K]+	305.986478	161.5
[M+H-H2O]+	250.020580	151.1
[M+HCOO]-	312.021521	173.2
[M+CH3COO]-	326.037171	197.0
[M+Na-2H]-	287.997986	157.8
[M]+	267.02277142	159.9
[M]-	267.02386858	159.9

Literature stripe

literature stripe

Patent stripe

patents stripe