CID 3074359

3,6-dihydro-4-(4-fluorophenyl)-alpha-(4-(phenylmethyl)phenyl)-1(2h)-pyridinepropanol

Structural Information

Molecular Formula
C27H28FNO
SMILES
C1CN(CC=C1C2=CC=C(C=C2)F)CCC(C3=CC=C(C=C3)CC4=CC=CC=C4)O
InChI
InChI=1S/C27H28FNO/c28-26-12-10-23(11-13-26)24-14-17-29(18-15-24)19-16-27(30)25-8-6-22(7-9-25)20-21-4-2-1-3-5-21/h1-14,27,30H,15-20H2
InChIKey
ZTOVRQHCIRZCDJ-UHFFFAOYSA-N
Compound name
1-(4-benzylphenyl)-3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

401.21548 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.22276 200.8
[M+Na]+ 424.20470 204.0
[M-H]- 400.20820 207.7
[M+NH4]+ 419.24930 208.2
[M+K]+ 440.17864 195.7
[M+H-H2O]+ 384.21274 187.7
[M+HCOO]- 446.21368 215.3
[M+CH3COO]- 460.22933 207.5
[M+Na-2H]- 422.19015 200.0
[M]+ 401.21493 195.2
[M]- 401.21603 195.2
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