CID 49767128

1-[6-bromo-2-(2-methoxyethoxy)-3-quinolyl]-4-(dimethylamino)-2-(3-fluorophenyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C30H32BrFN2O3
SMILES
CN(C)CCC(C1=CC(=CC=C1)F)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Br)OCCOC)O
InChI
InChI=1S/C30H32BrFN2O3/c1-34(2)15-14-30(35,23-10-7-11-25(32)20-23)28(21-8-5-4-6-9-21)26-19-22-18-24(31)12-13-27(22)33-29(26)37-17-16-36-3/h4-13,18-20,28,35H,14-17H2,1-3H3
InChIKey
RDDRXUCNBPJHOX-UHFFFAOYSA-N
Compound name
1-[6-bromo-2-(2-methoxyethoxy)quinolin-3-yl]-4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.158 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.16528 235.8
[M+Na]+ 589.14722 241.2
[M-H]- 565.15072 244.2
[M+NH4]+ 584.19182 242.3
[M+K]+ 605.12116 229.2
[M+H-H2O]+ 549.15526 229.3
[M+HCOO]- 611.15620 248.1
[M+CH3COO]- 625.17185 251.0
[M+Na-2H]- 587.13267 236.7
[M]+ 566.15745 256.5
[M]- 566.15855 256.5
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.