CID 3072614

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

Structural Information

Molecular Formula
C26H25F2NO
SMILES
C1CN(CC=C1C2=CC=C(C=C2)F)CCC(C3=CC=C(C=C3)C4=CC=C(C=C4)F)O
InChI
InChI=1S/C26H25F2NO/c27-24-9-5-20(6-10-24)19-1-3-23(4-2-19)26(30)15-18-29-16-13-22(14-17-29)21-7-11-25(28)12-8-21/h1-13,26,30H,14-18H2
InChIKey
VDYRBKDKZRLVQR-UHFFFAOYSA-N
Compound name
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[4-(4-fluorophenyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

405.19043 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.19771 200.4
[M+Na]+ 428.17965 205.0
[M-H]- 404.18315 206.5
[M+NH4]+ 423.22425 207.8
[M+K]+ 444.15359 196.6
[M+H-H2O]+ 388.18769 186.6
[M+HCOO]- 450.18863 214.1
[M+CH3COO]- 464.20428 207.2
[M+Na-2H]- 426.16510 198.7
[M]+ 405.18988 194.0
[M]- 405.19098 194.0
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