CID 86812178

N-ethyl-1-phenyl-3-(piperidin-3-yl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C17H22N4O
SMILES
CCNC(=O)C1=CN(N=C1C2CCCNC2)C3=CC=CC=C3
InChI
InChI=1S/C17H22N4O/c1-2-19-17(22)15-12-21(14-8-4-3-5-9-14)20-16(15)13-7-6-10-18-11-13/h3-5,8-9,12-13,18H,2,6-7,10-11H2,1H3,(H,19,22)
InChIKey
BYKFRZRXLHWLPJ-UHFFFAOYSA-N
Compound name
N-ethyl-1-phenyl-3-piperidin-3-ylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.17935 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.186626 171.7
[M+Na]+ 321.168568 175.6
[M-H]- 297.172074 175.3
[M+NH4]+ 316.213173 182.8
[M+K]+ 337.142508 170.1
[M+H-H2O]+ 281.176610 160.9
[M+HCOO]- 343.177551 187.8
[M+CH3COO]- 357.193201 180.2
[M+Na-2H]- 319.154016 172.4
[M]+ 298.17880142 165.5
[M]- 298.17989858 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.