CID 97343

Urea, 1-phenyl-3-(4-thiazolylmethoxy)-

Structural Information

Molecular Formula

C₁₁H₁₁N₃O₂S

SMILES

C1=CC=C(C=C1)NC(=O)NOCC2=CSC=N2

InChI

InChI=1S/C11H11N3O2S/c15-11(13-9-4-2-1-3-5-9)14-16-6-10-7-17-8-12-10/h1-5,7-8H,6H2,(H2,13,14,15)

InChIKey

MDKDGBLEKGDTDY-UHFFFAOYSA-N

Compound name

1-phenyl-3-(1,3-thiazol-4-ylmethoxy)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 249.0572 Da
Monoisotopic Mass: 1.5
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]+	250.064476	152.0
[M+Na]+	272.046418	158.6
[M-H]-	248.049924	157.7
[M+NH4]+	267.091023	169.3
[M+K]+	288.020358	155.4
[M+H-H2O]+	232.054460	144.0
[M+HCOO]-	294.055401	173.5
[M+CH3COO]-	308.071051	191.9
[M+Na-2H]-	270.031866	156.3
[M]+	249.05665142	153.6
[M]-	249.05774858	153.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.