CID 49767130

2-(3,5-difluorophenyl)-4-(dimethylamino)-1-(6-fluoro-2-methoxy-3-quinolyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C28H27F3N2O2
SMILES
CN(C)CCC(C1=CC(=CC(=C1)F)F)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)F)OC)O
InChI
InChI=1S/C28H27F3N2O2/c1-33(2)12-11-28(34,20-15-22(30)17-23(31)16-20)26(18-7-5-4-6-8-18)24-14-19-13-21(29)9-10-25(19)32-27(24)35-3/h4-10,13-17,26,34H,11-12H2,1-3H3
InChIKey
OZANYZYELNTJCK-UHFFFAOYSA-N
Compound name
2-(3,5-difluorophenyl)-4-(dimethylamino)-1-(6-fluoro-2-methoxyquinolin-3-yl)-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.20245 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.20973 219.7
[M+Na]+ 503.19167 225.7
[M-H]- 479.19517 224.4
[M+NH4]+ 498.23627 226.0
[M+K]+ 519.16561 219.1
[M+H-H2O]+ 463.19971 205.3
[M+HCOO]- 525.20065 232.8
[M+CH3COO]- 539.21630 244.5
[M+Na-2H]- 501.17712 219.2
[M]+ 480.20190 218.9
[M]- 480.20300 218.9
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.