CID 324089

1-(4-methylphenyl)-3-(1,3-thiazol-2-yl)urea

Structural Information

Molecular Formula

C₁₁H₁₁N₃OS

SMILES

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

InChI

InChI=1S/C11H11N3OS/c1-8-2-4-9(5-3-8)13-10(15)14-11-12-6-7-16-11/h2-7H,1H3,(H2,12,13,14,15)

InChIKey

SCKHIOSDMOKXAB-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)-3-(1,3-thiazol-2-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 233.06229 Da
Monoisotopic Mass: 2.5
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]+	234.06957	150.3
[M+Na]+	256.05151	161.0
[M+NH4]+	251.09611	158.6
[M+K]+	272.02545	154.8
[M-H]-	232.05501	154.4
[M+Na-2H]-	254.03696	157.9
[M]+	233.06174	153.2
[M]-	233.06284	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe