CID 3034210

1,3-(difurfuryl)thiourea

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂S

SMILES

C1=COC(=C1)CNC(=S)NCC2=CC=CO2

InChI

InChI=1S/C11H12N2O2S/c16-11(12-7-9-3-1-5-14-9)13-8-10-4-2-6-15-10/h1-6H,7-8H2,(H2,12,13,16)

InChIKey

UPLWHRBYCKGWOL-UHFFFAOYSA-N

Compound name

1,3-bis(furan-2-ylmethyl)thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 23
Patents: 236.06195 Da
Monoisotopic Mass: 1.2
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]+	237.06923	152.9
[M+Na]+	259.05117	162.7
[M+NH4]+	254.09577	160.9
[M+K]+	275.02511	159.1
[M-H]-	235.05467	159.2
[M+Na-2H]-	257.03662	158.5
[M]+	236.06140	156.3
[M]-	236.06250	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe