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]+ 299.18663 171.7
[M+Na]+ 321.16857 175.6
[M-H]- 297.17207 175.3
[M+NH4]+ 316.21317 182.8
[M+K]+ 337.14251 170.1
[M+H-H2O]+ 281.17661 160.9
[M+HCOO]- 343.17755 187.8
[M+CH3COO]- 357.19320 180.2
[M+Na-2H]- 319.15402 172.4
[M]+ 298.17880 165.5
[M]- 298.17990 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.