CID 80631596

1-(5-formylpyridin-2-yl)-1h-pyrazole-3-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.06473 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07201 144.9
[M+Na]+ 239.05395 154.3
[M-H]- 215.05745 148.0
[M+NH4]+ 234.09855 160.4
[M+K]+ 255.02789 150.9
[M+H-H2O]+ 199.06199 135.9
[M+HCOO]- 261.06293 167.6
[M+CH3COO]- 275.07858 188.0
[M+Na-2H]- 237.03940 149.4
[M]+ 216.06418 144.7
[M]- 216.06528 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

No patent data available for this compound.