CID 3072612

3,6-dihydro-alpha-(4'-chloro-(1,1'-biphenyl)-4-yl)-4-phenyl-1(2h)-pyridinepropanol

Structural Information

Molecular Formula
C26H26ClNO
SMILES
C1CN(CC=C1C2=CC=CC=C2)CCC(C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C26H26ClNO/c27-25-12-10-22(11-13-25)21-6-8-24(9-7-21)26(29)16-19-28-17-14-23(15-18-28)20-4-2-1-3-5-20/h1-14,26,29H,15-19H2
InChIKey
SZJRWTCANBCQTB-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)phenyl]-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

403.1703 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.17758 199.4
[M+Na]+ 426.15952 203.8
[M-H]- 402.16302 207.6
[M+NH4]+ 421.20412 207.7
[M+K]+ 442.13346 194.9
[M+H-H2O]+ 386.16756 187.9
[M+HCOO]- 448.16850 210.8
[M+CH3COO]- 462.18415 206.8
[M+Na-2H]- 424.14497 199.4
[M]+ 403.16975 197.1
[M]- 403.17085 197.1
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

patents stripe