CID 3043190

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

Structural Information

Molecular Formula
C18H25N3O2
SMILES
CCCCNC(=O)C1=NN(C(=C1)OCCCC)C2=CC=CC=C2
InChI
InChI=1S/C18H25N3O2/c1-3-5-12-19-18(22)16-14-17(23-13-6-4-2)21(20-16)15-10-8-7-9-11-15/h7-11,14H,3-6,12-13H2,1-2H3,(H,19,22)
InChIKey
XEGGIQBCXBHPIQ-UHFFFAOYSA-N
Compound name
5-butoxy-N-butyl-1-phenylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.19467 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.201946 177.5
[M+Na]+ 338.183888 183.0
[M-H]- 314.187394 181.1
[M+NH4]+ 333.228493 190.7
[M+K]+ 354.157828 179.0
[M+H-H2O]+ 298.191930 167.7
[M+HCOO]- 360.192871 199.3
[M+CH3COO]- 374.208521 209.7
[M+Na-2H]- 336.169336 178.8
[M]+ 315.19412142 181.2
[M]- 315.19521858 181.2
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.