CID 3043188

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

Structural Information

Molecular Formula
C15H19N3O2
SMILES
CCCCOC1=CC(=NN1C2=CC=CC=C2)C(=O)NC
InChI
InChI=1S/C15H19N3O2/c1-3-4-10-20-14-11-13(15(19)16-2)17-18(14)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H,16,19)
InChIKey
VEPQYQGORPXCGU-UHFFFAOYSA-N
Compound name
5-butoxy-N-methyl-1-phenylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.14774 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.155016 164.0
[M+Na]+ 296.136958 170.9
[M-H]- 272.140464 168.1
[M+NH4]+ 291.181563 179.0
[M+K]+ 312.110898 167.6
[M+H-H2O]+ 256.145000 154.8
[M+HCOO]- 318.145941 186.9
[M+CH3COO]- 332.161591 200.8
[M+Na-2H]- 294.122406 166.9
[M]+ 273.14719142 166.7
[M]- 273.14828858 166.7
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.