CID 175784

1h-pyrazole-4-carboxamide, 5-cyano-n-methyl-1-(2-pyridinyl)-

Structural Information

Molecular Formula
C11H9N5O
SMILES
CNC(=O)C1=C(N(N=C1)C2=CC=CC=N2)C#N
InChI
InChI=1S/C11H9N5O/c1-13-11(17)8-7-15-16(9(8)6-12)10-4-2-3-5-14-10/h2-5,7H,1H3,(H,13,17)
InChIKey
QDLFJUYXQQLAPW-UHFFFAOYSA-N
Compound name
5-cyano-N-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

227.0807 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08798 149.5
[M+Na]+ 250.06992 159.3
[M-H]- 226.07342 150.8
[M+NH4]+ 245.11452 162.6
[M+K]+ 266.04386 155.4
[M+H-H2O]+ 210.07796 132.9
[M+HCOO]- 272.07890 167.8
[M+CH3COO]- 286.09455 202.1
[M+Na-2H]- 248.05537 153.6
[M]+ 227.08015 144.1
[M]- 227.08125 144.1
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