CID 3065245

3-(4,4-dimethyl-2-piperidon-6-yl)methyl-5-phenyl-2-pyrazoline

Structural Information

Molecular Formula
C17H23N3O
SMILES
CC1(CC(NC(=O)C1)CC2=NNC(C2)C3=CC=CC=C3)C
InChI
InChI=1S/C17H23N3O/c1-17(2)10-14(18-16(21)11-17)8-13-9-15(20-19-13)12-6-4-3-5-7-12/h3-7,14-15,20H,8-11H2,1-2H3,(H,18,21)
InChIKey
SLXDZPZFOOPZTB-UHFFFAOYSA-N
Compound name
4,4-dimethyl-6-[(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methyl]piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1841 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.19138 171.2
[M+Na]+ 308.17332 182.8
[M+NH4]+ 303.21792 179.4
[M+K]+ 324.14726 175.8
[M-H]- 284.17682 174.2
[M+Na-2H]- 306.15877 178.4
[M]+ 285.18355 173.6
[M]- 285.18465 173.6
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.