CID 49767125

3-quinolineethanol, .alpha.-[2-(dimethylamino)ethyl]-.alpha.-(3-fluorophenyl)-6-(2-furanyl)-2-methoxy-.beta.-phenyl-

Structural Information

Molecular Formula
C32H31FN2O3
SMILES
CN(C)CCC(C1=CC(=CC=C1)F)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)C5=CC=CO5)OC)O
InChI
InChI=1S/C32H31FN2O3/c1-35(2)17-16-32(36,25-11-7-12-26(33)21-25)30(22-9-5-4-6-10-22)27-20-24-19-23(29-13-8-18-38-29)14-15-28(24)34-31(27)37-3/h4-15,18-21,30,36H,16-17H2,1-3H3
InChIKey
NEAKKZKURTZMEP-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-2-(3-fluorophenyl)-1-[6-(furan-2-yl)-2-methoxyquinolin-3-yl]-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.23187 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.23915 227.8
[M+Na]+ 533.22109 232.8
[M-H]- 509.22459 239.2
[M+NH4]+ 528.26569 232.7
[M+K]+ 549.19503 228.0
[M+H-H2O]+ 493.22913 215.0
[M+HCOO]- 555.23007 244.3
[M+CH3COO]- 569.24572 234.8
[M+Na-2H]- 531.20654 228.2
[M]+ 510.23132 231.5
[M]- 510.23242 231.5
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.