CID 135535920

Nifurvidine

Structural Information

Molecular Formula
C11H9N3O4
SMILES
CC1=NC(=CC(=O)N1)/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O4/c1-7-12-8(6-10(15)13-7)2-3-9-4-5-11(18-9)14(16)17/h2-6H,1H3,(H,12,13,15)/b3-2+
InChIKey
BRTOIRPXZSVHKA-NSCUHMNNSA-N
Compound name
2-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

247.05931 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06659 151.5
[M+Na]+ 270.04853 160.4
[M-H]- 246.05203 156.1
[M+NH4]+ 265.09313 165.1
[M+K]+ 286.02247 153.2
[M+H-H2O]+ 230.05657 148.2
[M+HCOO]- 292.05751 174.4
[M+CH3COO]- 306.07316 182.3
[M+Na-2H]- 268.03398 158.6
[M]+ 247.05876 151.1
[M]- 247.05986 151.1
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

patents stripe