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]+ 274.15502 164.0
[M+Na]+ 296.13696 170.9
[M-H]- 272.14046 168.1
[M+NH4]+ 291.18156 179.0
[M+K]+ 312.11090 167.6
[M+H-H2O]+ 256.14500 154.8
[M+HCOO]- 318.14594 186.9
[M+CH3COO]- 332.16159 200.8
[M+Na-2H]- 294.12241 166.9
[M]+ 273.14719 166.7
[M]- 273.14829 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.