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]+ 228.087976 149.5
[M+Na]+ 250.069918 159.3
[M-H]- 226.073424 150.8
[M+NH4]+ 245.114523 162.6
[M+K]+ 266.043858 155.4
[M+H-H2O]+ 210.077960 132.9
[M+HCOO]- 272.078901 167.8
[M+CH3COO]- 286.094551 202.1
[M+Na-2H]- 248.055366 153.6
[M]+ 227.08015142 144.1
[M]- 227.08124858 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