CID 101650979

Pd-143188

Structural Information

Molecular Formula
C24H27N
SMILES
C1CN(CC=C1C2=CC=CC=C2)C[C@@H]3CC=CC(C3)C4=CC=CC=C4
InChI
InChI=1S/C24H27N/c1-3-9-21(10-4-1)23-14-16-25(17-15-23)19-20-8-7-13-24(18-20)22-11-5-2-6-12-22/h1-7,9-14,20,24H,8,15-19H2/t20-,24?/m1/s1
InChIKey
SDOHTVBFDDPWNE-CGHJUBPDSA-N
Compound name
4-phenyl-1-[[(1R)-5-phenylcyclohex-3-en-1-yl]methyl]-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

329.21436 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.221636 182.6
[M+Na]+ 352.203578 185.0
[M-H]- 328.207084 191.6
[M+NH4]+ 347.248183 193.5
[M+K]+ 368.177518 177.9
[M+H-H2O]+ 312.211620 170.6
[M+HCOO]- 374.212561 198.8
[M+CH3COO]- 388.228211 190.8
[M+Na-2H]- 350.189026 184.3
[M]+ 329.21381142 174.8
[M]- 329.21490858 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.