CID 9554784

Thiofuradene

Structural Information

Molecular Formula
C8H8N4O3S
SMILES
C1CN(C(=S)N1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O3S/c13-12(14)7-2-1-6(15-7)5-10-11-4-3-9-8(11)16/h1-2,5H,3-4H2,(H,9,16)/b10-5+
InChIKey
KXXGBELYAHLJHU-BJMVGYQFSA-N
Compound name
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]imidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

66
Patents

240.03171 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.038986 150.5
[M+Na]+ 263.020928 157.6
[M-H]- 239.024434 156.0
[M+NH4]+ 258.065533 166.8
[M+K]+ 278.994868 151.5
[M+H-H2O]+ 223.028970 148.0
[M+HCOO]- 285.029911 169.6
[M+CH3COO]- 299.045561 182.1
[M+Na-2H]- 261.006376 153.7
[M]+ 240.03116142 148.0
[M]- 240.03225858 148.0
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