CID 9576407

Usaf ea-13

Structural Information

Molecular Formula
C8H6N4O4S
SMILES
C1C(=O)NC(=S)N1/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C8H6N4O4S/c13-6-4-11(8(17)10-6)9-3-5-1-2-7(16-5)12(14)15/h1-3H,4H2,(H,10,13,17)/b9-3+
InChIKey
XENCHJQLBLWRFK-YCRREMRBSA-N
Compound name
1-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.01097 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.018246 153.3
[M+Na]+ 277.000188 161.2
[M-H]- 253.003694 159.2
[M+NH4]+ 272.044793 169.1
[M+K]+ 292.974128 154.9
[M+H-H2O]+ 237.008230 151.0
[M+HCOO]- 299.009171 172.7
[M+CH3COO]- 313.024821 184.5
[M+Na-2H]- 274.985636 156.2
[M]+ 254.01042142 151.8
[M]- 254.01151858 151.8
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.