CID 5743052

Chembl186223

Structural Information

Molecular Formula
C8H6N4O4
SMILES
C1=C(OC(=C1)[N+](=O)[O-])C(=O)NC2=CC=NN2
InChI
InChI=1S/C8H6N4O4/c13-8(10-6-3-4-9-11-6)5-1-2-7(16-5)12(14)15/h1-4H,(H2,9,10,11,13)
InChIKey
JWVXVWRACVBQJB-UHFFFAOYSA-N
Compound name
5-nitro-N-(1H-pyrazol-5-yl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

222.03891 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04619 141.1
[M+Na]+ 245.02813 148.4
[M-H]- 221.03163 146.0
[M+NH4]+ 240.07273 156.5
[M+K]+ 261.00207 143.4
[M+H-H2O]+ 205.03617 137.9
[M+HCOO]- 267.03711 167.0
[M+CH3COO]- 281.05276 177.4
[M+Na-2H]- 243.01358 149.4
[M]+ 222.03836 140.2
[M]- 222.03946 140.2
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

No patent data available for this compound.