CID 13290702

93103-26-5

Structural Information

Molecular Formula
C7H6N2OS
SMILES
C1=COC(=C1)C2=CNC(=S)N2
InChI
InChI=1S/C7H6N2OS/c11-7-8-4-5(9-7)6-2-1-3-10-6/h1-4H,(H2,8,9,11)
InChIKey
MXBJHZCSWDNNJK-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-1,3-dihydroimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02008 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.027356 129.8
[M+Na]+ 189.009298 141.8
[M-H]- 165.012804 133.7
[M+NH4]+ 184.053903 149.7
[M+K]+ 204.983238 138.4
[M+H-H2O]+ 149.017340 124.4
[M+HCOO]- 211.018281 148.7
[M+CH3COO]- 225.033931 144.3
[M+Na-2H]- 186.994746 132.7
[M]+ 166.01953142 131.0
[M]- 166.02062858 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.