CID 163835

Icoduline

Structural Information

Molecular Formula

C₁₀H₁₀N₂OS

SMILES

CC1=CC(=C(C=C1)NC2=NC=CS2)O

InChI

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

InChIKey

UTHOTQDPKFKRKG-UHFFFAOYSA-N

Compound name

5-methyl-2-(1,3-thiazol-2-ylamino)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 82
Patents: 206.05139 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]+	207.058666	141.4
[M+Na]+	229.040608	150.9
[M-H]-	205.044114	146.6
[M+NH4]+	224.085213	160.9
[M+K]+	245.014548	146.6
[M+H-H2O]+	189.048650	134.9
[M+HCOO]-	251.049591	161.4
[M+CH3COO]-	265.065241	154.9
[M+Na-2H]-	227.026056	144.6
[M]+	206.05084142	142.5
[M]-	206.05193858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe