CID 736799

60870-34-0

Structural Information

Molecular Formula

C₁₂H₁₁N₃O₂S

SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CO2

InChI

InChI=1S/C12H11N3O2S/c16-11(10-7-4-8-17-10)14-15-12(18)13-9-5-2-1-3-6-9/h1-8H,(H,14,16)(H2,13,15,18)

InChIKey

GWUUETPFVSILLU-UHFFFAOYSA-N

Compound name

1-(furan-2-carbonylamino)-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 261.0572 Da
Monoisotopic Mass: 2.1
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]+	262.06448	158.5
[M+Na]+	284.04642	163.9
[M-H]-	260.04992	166.0
[M+NH4]+	279.09102	174.8
[M+K]+	300.02036	161.3
[M+H-H2O]+	244.05446	150.9
[M+HCOO]-	306.05540	180.1
[M+CH3COO]-	320.07105	196.2
[M+Na-2H]-	282.03187	162.3
[M]+	261.05665	158.2
[M]-	261.05775	158.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.