CID 3065246

107451-99-0

Structural Information

Molecular Formula
C23H27N3O
SMILES
CC1(CC(NC(=O)C1)CC2=NN(C(C2)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C23H27N3O/c1-23(2)15-19(24-22(27)16-23)13-18-14-21(17-9-5-3-6-10-17)26(25-18)20-11-7-4-8-12-20/h3-12,19,21H,13-16H2,1-2H3,(H,24,27)
InChIKey
BCLGUYVPBNKJSC-UHFFFAOYSA-N
Compound name
6-[(2,3-diphenyl-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

361.21542 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.222696 191.0
[M+Na]+ 384.204638 196.5
[M-H]- 360.208144 197.7
[M+NH4]+ 379.249243 201.7
[M+K]+ 400.178578 189.0
[M+H-H2O]+ 344.212680 178.9
[M+HCOO]- 406.213621 204.8
[M+CH3COO]- 420.229271 198.9
[M+Na-2H]- 382.190086 189.4
[M]+ 361.21487142 185.1
[M]- 361.21596858 185.1
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.