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]+ 255.01825 153.3
[M+Na]+ 277.00019 161.2
[M-H]- 253.00369 159.2
[M+NH4]+ 272.04479 169.1
[M+K]+ 292.97413 154.9
[M+H-H2O]+ 237.00823 151.0
[M+HCOO]- 299.00917 172.7
[M+CH3COO]- 313.02482 184.5
[M+Na-2H]- 274.98564 156.2
[M]+ 254.01042 151.8
[M]- 254.01152 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.