CID 3011952

779327-12-7

Structural Information

Molecular Formula
C9H6N4O4
SMILES
C1=CN=C(C=N1)NC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C9H6N4O4/c14-9(12-7-5-10-3-4-11-7)6-1-2-8(17-6)13(15)16/h1-5H,(H,11,12,14)
InChIKey
PPRTVOVWIRGKNS-UHFFFAOYSA-N
Compound name
5-nitro-N-pyrazin-2-ylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

234.03891 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.046186 144.8
[M+Na]+ 257.028128 151.5
[M-H]- 233.031634 150.3
[M+NH4]+ 252.072733 158.5
[M+K]+ 273.002068 146.8
[M+H-H2O]+ 217.036170 140.7
[M+HCOO]- 279.037111 169.7
[M+CH3COO]- 293.052761 183.0
[M+Na-2H]- 255.013576 154.3
[M]+ 234.03836142 144.0
[M]- 234.03945858 144.0
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