CID 163674

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

Structural Information

Molecular Formula
C12H11N5O2
SMILES
CN(C(=O)C1=C(N(N=C1)C2=CC=CC=N2)C#N)OC
InChI
InChI=1S/C12H11N5O2/c1-16(19-2)12(18)9-8-15-17(10(9)7-13)11-5-3-4-6-14-11/h3-6,8H,1-2H3
InChIKey
RUXGRVBXYVZWGB-UHFFFAOYSA-N
Compound name
5-cyano-N-methoxy-N-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.09128 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.09856 155.1
[M+Na]+ 280.08050 164.3
[M-H]- 256.08400 157.5
[M+NH4]+ 275.12510 167.5
[M+K]+ 296.05444 162.0
[M+H-H2O]+ 240.08854 138.0
[M+HCOO]- 302.08948 173.7
[M+CH3COO]- 316.10513 209.7
[M+Na-2H]- 278.06595 158.1
[M]+ 257.09073 152.2
[M]- 257.09183 152.2
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

patents stripe