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
2
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]+ 248.066586 151.5
[M+Na]+ 270.048528 160.4
[M-H]- 246.052034 156.1
[M+NH4]+ 265.093133 165.1
[M+K]+ 286.022468 153.2
[M+H-H2O]+ 230.056570 148.2
[M+HCOO]- 292.057511 174.4
[M+CH3COO]- 306.073161 182.3
[M+Na-2H]- 268.033976 158.6
[M]+ 247.05876142 151.1
[M]- 247.05985858 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