CID 824443

6142-11-6

Structural Information

Molecular Formula

C₁₀H₁₀N₂S

SMILES

CNC1=NC(=CS1)C2=CC=CC=C2

InChI

InChI=1S/C10H10N2S/c1-11-10-12-9(7-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)

InChIKey

QPHATFGERAPTTA-UHFFFAOYSA-N

Compound name

N-methyl-4-phenyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 108
Patents: 190.05647 Da
Monoisotopic Mass: 2.9
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]+	191.06375	137.7
[M+Na]+	213.04569	147.0
[M-H]-	189.04919	144.0
[M+NH4]+	208.09029	158.4
[M+K]+	229.01963	143.2
[M+H-H2O]+	173.05373	130.9
[M+HCOO]-	235.05467	159.1
[M+CH3COO]-	249.07032	151.7
[M+Na-2H]-	211.03114	142.0
[M]+	190.05592	138.9
[M]-	190.05702	138.9

Literature stripe

literature stripe

Patent stripe

patents stripe