CID 6433427

Nifuratel

Structural Information

Molecular Formula
C10H11N3O5S
SMILES
CSCC1CN(C(=O)O1)/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O5S/c1-19-6-8-5-12(10(14)18-8)11-4-7-2-3-9(17-7)13(15)16/h2-4,8H,5-6H2,1H3/b11-4+
InChIKey
SRQKTCXJCCHINN-NYYWCZLTSA-N
Compound name
5-(methylsulfanylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

58
References

4539
Patents

285.04193 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04921 163.7
[M+Na]+ 308.03115 170.7
[M-H]- 284.03465 172.4
[M+NH4]+ 303.07575 178.9
[M+K]+ 324.00509 166.7
[M+H-H2O]+ 268.03919 161.9
[M+HCOO]- 330.04013 184.2
[M+CH3COO]- 344.05578 193.8
[M+Na-2H]- 306.01660 166.9
[M]+ 285.04138 166.7
[M]- 285.04248 166.7
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