CID 3043186

5-butoxy-1-phenyl-n-propyl-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CCCCOC1=CC(=NN1C2=CC=CC=C2)C(=O)NCCC
InChI
InChI=1S/C17H23N3O2/c1-3-5-12-22-16-13-15(17(21)18-11-4-2)19-20(16)14-9-7-6-8-10-14/h6-10,13H,3-5,11-12H2,1-2H3,(H,18,21)
InChIKey
GBVYKKCSLRYXGV-UHFFFAOYSA-N
Compound name
5-butoxy-1-phenyl-N-propylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.17902 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.186296 173.0
[M+Na]+ 324.168238 179.0
[M-H]- 300.171744 176.8
[M+NH4]+ 319.212843 186.9
[M+K]+ 340.142178 175.3
[M+H-H2O]+ 284.176280 163.4
[M+HCOO]- 346.177221 195.2
[M+CH3COO]- 360.192871 206.8
[M+Na-2H]- 322.153686 174.8
[M]+ 301.17847142 176.4
[M]- 301.17956858 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.