CID 9568061

Brn 0290338

Structural Information

Molecular Formula
C9H8N4O4S
SMILES
CN1C(=O)CN(C1=S)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H8N4O4S/c1-11-7(14)5-12(9(11)18)10-4-6-2-3-8(17-6)13(15)16/h2-4H,5H2,1H3/b10-4+
InChIKey
KLCXMFQIIZIFPE-ONNFQVAWSA-N
Compound name
3-methyl-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

268.0266 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.03388 157.4
[M+Na]+ 291.01582 167.0
[M+NH4]+ 286.06042 163.1
[M+K]+ 306.98976 167.4
[M-H]- 267.01932 160.7
[M+Na-2H]- 289.00127 159.6
[M]+ 268.02605 159.5
[M]- 268.02715 159.5
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.