CID 80631963

1-(5-formylpyridin-2-yl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C10H8N4O2
SMILES
C1=CC(=NC=C1C=O)N2C=C(C=N2)C(=O)N
InChI
InChI=1S/C10H8N4O2/c11-10(16)8-4-13-14(5-8)9-2-1-7(6-15)3-12-9/h1-6H,(H2,11,16)
InChIKey
JFXSAXQDLDAYRW-UHFFFAOYSA-N
Compound name
1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

216.06473 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.072006 144.9
[M+Na]+ 239.053948 154.3
[M-H]- 215.057454 148.0
[M+NH4]+ 234.098553 160.4
[M+K]+ 255.027888 150.9
[M+H-H2O]+ 199.061990 135.9
[M+HCOO]- 261.062931 167.6
[M+CH3COO]- 275.078581 188.0
[M+Na-2H]- 237.039396 149.4
[M]+ 216.06418142 144.7
[M]- 216.06527858 144.7
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