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]+ 286.191376 170.7
[M+Na]+ 308.173318 176.3
[M-H]- 284.176824 173.2
[M+NH4]+ 303.217923 184.4
[M+K]+ 324.147258 170.0
[M+H-H2O]+ 268.181360 161.1
[M+HCOO]- 330.182301 183.9
[M+CH3COO]- 344.197951 179.4
[M+Na-2H]- 306.158766 170.6
[M]+ 285.18355142 163.4
[M]- 285.18464858 163.4
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.