CID 5373493

Nifuroxime

Structural Information

Molecular Formula
C5H4N2O4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N\O
InChI
InChI=1S/C5H4N2O4/c8-6-3-4-1-2-5(11-4)7(9)10/h1-3,8H/b6-3-
InChIKey
PTBKFATYSVLSSD-UTCJRWHESA-N
Compound name
(NZ)-N-[(5-nitrofuran-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

1157
Patents

156.0171 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.02438 126.1
[M+Na]+ 179.00632 134.0
[M-H]- 155.00982 131.0
[M+NH4]+ 174.05092 146.3
[M+K]+ 194.98026 130.5
[M+H-H2O]+ 139.01436 125.2
[M+HCOO]- 201.01530 154.4
[M+CH3COO]- 215.03095 168.8
[M+Na-2H]- 176.99177 136.0
[M]+ 156.01655 126.1
[M]- 156.01765 126.1
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