CID 168450425

5-methyl-1-(3-methylbutan-2-yl)-n-(pyridazin-4-yl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C14H19N5O
SMILES
CC1=C(C=NN1C(C)C(C)C)C(=O)NC2=CN=NC=C2
InChI
InChI=1S/C14H19N5O/c1-9(2)10(3)19-11(4)13(8-17-19)14(20)18-12-5-6-15-16-7-12/h5-10H,1-4H3,(H,15,18,20)
InChIKey
CIYVWOOVQZCVHO-UHFFFAOYSA-N
Compound name
5-methyl-1-(3-methylbutan-2-yl)-N-pyridazin-4-ylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15897 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16625 165.2
[M+Na]+ 296.14819 172.3
[M-H]- 272.15169 167.2
[M+NH4]+ 291.19279 177.5
[M+K]+ 312.12213 169.2
[M+H-H2O]+ 256.15623 155.2
[M+HCOO]- 318.15717 183.6
[M+CH3COO]- 332.17282 203.3
[M+Na-2H]- 294.13364 166.5
[M]+ 273.15842 166.1
[M]- 273.15952 166.1
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

No patent data available for this compound.