CID 49767142

4-(dimethylamino)-2-(3-fluorophenyl)-1-(2-methoxy-3-quinolyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C28H29FN2O2
SMILES
CN(C)CCC(C1=CC(=CC=C1)F)(C(C2=CC=CC=C2)C3=CC4=CC=CC=C4N=C3OC)O
InChI
InChI=1S/C28H29FN2O2/c1-31(2)17-16-28(32,22-13-9-14-23(29)19-22)26(20-10-5-4-6-11-20)24-18-21-12-7-8-15-25(21)30-27(24)33-3/h4-15,18-19,26,32H,16-17H2,1-3H3
InChIKey
UGNVEAPIXNUUEY-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-(3-fluorophenyl)-1-(2-methoxyquinolin-3-yl)-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.2213 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.22858 211.4
[M+Na]+ 467.21052 215.4
[M-H]- 443.21402 218.1
[M+NH4]+ 462.25512 218.7
[M+K]+ 483.18446 209.6
[M+H-H2O]+ 427.21856 198.7
[M+HCOO]- 489.21950 226.8
[M+CH3COO]- 503.23515 236.9
[M+Na-2H]- 465.19597 213.8
[M]+ 444.22075 211.8
[M]- 444.22185 211.8
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

No patent data available for this compound.