CID 2798277

N-(carbamothioylamino)furan-2-carboxamide

Structural Information

Molecular Formula

C₆H₇N₃O₂S

SMILES

C1=COC(=C1)C(=O)NNC(=S)N

InChI

InChI=1S/C6H7N3O2S/c7-6(12)9-8-5(10)4-2-1-3-11-4/h1-3H,(H,8,10)(H3,7,9,12)

InChIKey

PVOBZZGVQJMLBL-UHFFFAOYSA-N

Compound name

(furan-2-carbonylamino)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.0259 Da
Monoisotopic Mass: -0.2
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]+	186.03318	138.9
[M+Na]+	208.01512	145.1
[M-H]-	184.01862	143.0
[M+NH4]+	203.05972	158.1
[M+K]+	223.98906	144.1
[M+H-H2O]+	168.02316	132.2
[M+HCOO]-	230.02410	159.8
[M+CH3COO]-	244.03975	182.5
[M+Na-2H]-	206.00057	141.7
[M]+	185.02535	137.6
[M]-	185.02645	137.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.