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]+ 258.098556 155.1
[M+Na]+ 280.080498 164.3
[M-H]- 256.084004 157.5
[M+NH4]+ 275.125103 167.5
[M+K]+ 296.054438 162.0
[M+H-H2O]+ 240.088540 138.0
[M+HCOO]- 302.089481 173.7
[M+CH3COO]- 316.105131 209.7
[M+Na-2H]- 278.065946 158.1
[M]+ 257.09073142 152.2
[M]- 257.09182858 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