CID 3065247

3-(4,4-dimethyl-2-piperidon-6-yl)methyl-5-(4-chlorophenyl)-1-phenyl-2-pyrazoline

Structural Information

Molecular Formula
C23H26ClN3O
SMILES
CC1(CC(NC(=O)C1)CC2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C
InChI
InChI=1S/C23H26ClN3O/c1-23(2)14-19(25-22(28)15-23)12-18-13-21(16-8-10-17(24)11-9-16)27(26-18)20-6-4-3-5-7-20/h3-11,19,21H,12-15H2,1-2H3,(H,25,28)
InChIKey
SKAXFRKWAHPWMV-UHFFFAOYSA-N
Compound name
6-[[3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]methyl]-4,4-dimethylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17645 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18373 198.1
[M+Na]+ 418.16567 205.1
[M-H]- 394.16917 204.8
[M+NH4]+ 413.21027 208.5
[M+K]+ 434.13961 196.3
[M+H-H2O]+ 378.17371 186.2
[M+HCOO]- 440.17465 207.1
[M+CH3COO]- 454.19030 205.8
[M+Na-2H]- 416.15112 195.2
[M]+ 395.17590 194.7
[M]- 395.17700 194.7
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.