CID 3607071

Nifurthiazole

Structural Information

Molecular Formula
C8H6N4O4S
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C2=CSC(=N2)NNC=O
InChI
InChI=1S/C8H6N4O4S/c13-4-9-11-8-10-5(3-17-8)6-1-2-7(16-6)12(14)15/h1-4H,(H,9,13)(H,10,11)
InChIKey
DUWYZHLZDVCZIO-UHFFFAOYSA-N
Compound name
N-[[4-(5-nitrofuran-2-yl)-1,3-thiazol-2-yl]amino]formamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

1253
Patents

254.01097 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.01825 149.4
[M+Na]+ 277.00019 159.4
[M+NH4]+ 272.04479 155.9
[M+K]+ 292.97413 159.9
[M-H]- 253.00369 154.2
[M+Na-2H]- 274.98564 154.8
[M]+ 254.01042 152.1
[M]- 254.01152 152.1
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