CID 11567682

Paliroden

Structural Information

Molecular Formula
C26H24F3N
SMILES
C1CN(CC=C1C2=CC(=CC=C2)C(F)(F)F)CCC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H24F3N/c27-26(28,29)25-8-4-7-24(19-25)23-14-17-30(18-15-23)16-13-20-9-11-22(12-10-20)21-5-2-1-3-6-21/h1-12,14,19H,13,15-18H2
InChIKey
CNEWKIDCGDXBDE-UHFFFAOYSA-N
Compound name
1-[2-(4-phenylphenyl)ethyl]-4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

133
Patents

407.1861 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.19338 203.3
[M+Na]+ 430.17532 216.8
[M+NH4]+ 425.21992 209.7
[M+K]+ 446.14926 206.5
[M-H]- 406.17882 207.3
[M+Na-2H]- 428.16077 212.8
[M]+ 407.18555 206.5
[M]- 407.18665 206.5
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

patents stripe