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]+ 260.13936 159.5
[M+Na]+ 282.12130 166.8
[M-H]- 258.12480 163.4
[M+NH4]+ 277.16590 174.8
[M+K]+ 298.09524 163.4
[M+H-H2O]+ 242.12934 150.6
[M+HCOO]- 304.13028 182.1
[M+CH3COO]- 318.14593 197.9
[M+Na-2H]- 280.10675 161.9
[M]+ 259.13153 161.0
[M]- 259.13263 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.