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
1
Annotation Hits

0
References

56
Patents

240.03171 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.03899 150.5
[M+Na]+ 263.02093 157.6
[M-H]- 239.02443 156.0
[M+NH4]+ 258.06553 166.8
[M+K]+ 278.99487 151.5
[M+H-H2O]+ 223.02897 148.0
[M+HCOO]- 285.02991 169.6
[M+CH3COO]- 299.04556 182.1
[M+Na-2H]- 261.00638 153.7
[M]+ 240.03116 148.0
[M]- 240.03226 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

No literature data available for this compound.

Patent stripe

patents stripe