CID 3043187

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

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CCCCOC1=CC(=NN1C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C14H17N3O2/c1-2-3-9-19-13-10-12(14(15)18)16-17(13)11-7-5-4-6-8-11/h4-8,10H,2-3,9H2,1H3,(H2,15,18)
InChIKey
AZVFAUKWQQHKCZ-UHFFFAOYSA-N
Compound name
5-butoxy-1-phenylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.13208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 159.5
[M+Na]+ 282.121298 166.8
[M-H]- 258.124804 163.4
[M+NH4]+ 277.165903 174.8
[M+K]+ 298.095238 163.4
[M+H-H2O]+ 242.129340 150.6
[M+HCOO]- 304.130281 182.1
[M+CH3COO]- 318.145931 197.9
[M+Na-2H]- 280.106746 161.9
[M]+ 259.13153142 161.0
[M]- 259.13262858 161.0
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.