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]+ 316.20195 177.5
[M+Na]+ 338.18389 183.0
[M-H]- 314.18739 181.1
[M+NH4]+ 333.22849 190.7
[M+K]+ 354.15783 179.0
[M+H-H2O]+ 298.19193 167.7
[M+HCOO]- 360.19287 199.3
[M+CH3COO]- 374.20852 209.7
[M+Na-2H]- 336.16934 178.8
[M]+ 315.19412 181.2
[M]- 315.19522 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.