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 152.3
[M+Na]+ 277.00019 161.2
[M+NH4]+ 272.04479 157.8
[M+K]+ 292.97413 162.0
[M-H]- 253.00369 155.1
[M+Na-2H]- 274.98564 154.4
[M]+ 254.01042 154.1
[M]- 254.01152 154.1
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.