CID 3074358

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

Structural Information

Molecular Formula
C26H26FNO
SMILES
C1CN(CC=C1C2=CC=C(C=C2)F)CCC(C3=CC=C(C=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C26H26FNO/c27-25-12-10-22(11-13-25)23-14-17-28(18-15-23)19-16-26(29)24-8-6-21(7-9-24)20-4-2-1-3-5-20/h1-14,26,29H,15-19H2
InChIKey
QDUZNIBXRPROII-UHFFFAOYSA-N
Compound name
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-phenylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

387.19983 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.20711 196.4
[M+Na]+ 410.18905 200.1
[M-H]- 386.19255 203.5
[M+NH4]+ 405.23365 204.4
[M+K]+ 426.16299 192.0
[M+H-H2O]+ 370.19709 183.6
[M+HCOO]- 432.19803 211.2
[M+CH3COO]- 446.21368 203.6
[M+Na-2H]- 408.17450 196.2
[M]+ 387.19928 190.6
[M]- 387.20038 190.6
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