CID 679467

306280-31-9

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

COC1=CC=C(C=C1)C2=CN=C(S2)N

InChI

InChI=1S/C10H10N2OS/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3,(H2,11,12)

InChIKey

MVRGZAICFHFZIJ-UHFFFAOYSA-N

Compound name

5-(4-methoxyphenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 35
Patents: 206.05139 Da
Monoisotopic Mass: 2.2
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]+	207.05867	141.7
[M+Na]+	229.04061	151.7
[M-H]-	205.04411	147.8
[M+NH4]+	224.08521	161.6
[M+K]+	245.01455	147.9
[M+H-H2O]+	189.04865	135.0
[M+HCOO]-	251.04959	162.6
[M+CH3COO]-	265.06524	155.6
[M+Na-2H]-	227.02606	144.3
[M]+	206.05084	143.6
[M]-	206.05194	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe