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

29
Patents

236.06195 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 152.9
[M+Na]+ 259.05117 160.9
[M-H]- 235.05467 161.8
[M+NH4]+ 254.09577 171.6
[M+K]+ 275.02511 159.9
[M+H-H2O]+ 219.05921 147.0
[M+HCOO]- 281.06015 176.1
[M+CH3COO]- 295.07580 189.5
[M+Na-2H]- 257.03662 156.7
[M]+ 236.06140 157.4
[M]- 236.06250 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe