CID 9571044

Nifurzide

Structural Information

Molecular Formula
C12H8N4O6S
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=N/NC(=O)C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O6S/c17-12(9-4-6-11(23-9)16(20)21)14-13-7-1-2-8-3-5-10(22-8)15(18)19/h1-7H,(H,14,17)/b2-1+,13-7+
InChIKey
IDUMOVRJNBNOTR-BIZLIJPVSA-N
Compound name
5-nitro-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

476
Patents

336.01645 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02373 175.4
[M+Na]+ 359.00567 184.2
[M+NH4]+ 354.05027 180.2
[M+K]+ 374.97961 186.7
[M-H]- 335.00917 180.8
[M+Na-2H]- 356.99112 178.9
[M]+ 336.01590 177.9
[M]- 336.01700 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe