CID 101650979

4-phenyl-1-[[(1r)-5-phenylcyclohex-3-en-1-yl]methyl]-3,6-dihydro-2h-pyridine

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

0
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]+ 330.22164 182.6
[M+Na]+ 352.20358 185.0
[M-H]- 328.20708 191.6
[M+NH4]+ 347.24818 193.5
[M+K]+ 368.17752 177.9
[M+H-H2O]+ 312.21162 170.6
[M+HCOO]- 374.21256 198.8
[M+CH3COO]- 388.22821 190.8
[M+Na-2H]- 350.18903 184.3
[M]+ 329.21381 174.8
[M]- 329.21491 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.