CID 17319

Piperylone

Structural Information

Molecular Formula
C17H23N3O
SMILES
CCC1=C(NN(C1=O)C2CCN(CC2)C)C3=CC=CC=C3
InChI
InChI=1S/C17H23N3O/c1-3-15-16(13-7-5-4-6-8-13)18-20(17(15)21)14-9-11-19(2)12-10-14/h4-8,14,18H,3,9-12H2,1-2H3
InChIKey
LBFGQUCAQWAFNN-UHFFFAOYSA-N
Compound name
4-ethyl-2-(1-methylpiperidin-4-yl)-5-phenyl-1H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1435
Patents

285.1841 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 170.0
[M+Na]+ 308.17332 176.9
[M-H]- 284.17682 174.2
[M+NH4]+ 303.21792 182.7
[M+K]+ 324.14726 170.8
[M+H-H2O]+ 268.18136 159.9
[M+HCOO]- 330.18230 186.0
[M+CH3COO]- 344.19795 179.7
[M+Na-2H]- 306.15877 169.4
[M]+ 285.18355 165.9
[M]- 285.18465 165.9
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.