CID 49767261

1-(6-bromo-2-methoxy-3-quinolyl)-2-(6-bromo-2-naphthyl)-1-phenyl-4-(1-piperidyl)butan-2-ol

Structural Information

Molecular Formula
C35H34Br2N2O2
SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCN4CCCCC4)(C5=CC6=C(C=C5)C=C(C=C6)Br)O
InChI
InChI=1S/C35H34Br2N2O2/c1-41-34-31(23-27-22-30(37)14-15-32(27)38-34)33(24-8-4-2-5-9-24)35(40,16-19-39-17-6-3-7-18-39)28-12-10-26-21-29(36)13-11-25(26)20-28/h2,4-5,8-15,20-23,33,40H,3,6-7,16-19H2,1H3
InChIKey
DWPHMKIOWUXZKA-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-2-(6-bromonaphthalen-2-yl)-1-phenyl-4-piperidin-1-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

672.0987 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.10598 238.7
[M+Na]+ 695.08792 241.4
[M-H]- 671.09142 247.6
[M+NH4]+ 690.13252 242.5
[M+K]+ 711.06186 227.7
[M+H-H2O]+ 655.09596 242.4
[M+HCOO]- 717.09690 242.2
[M+CH3COO]- 731.11255 243.2
[M+Na-2H]- 693.07337 239.1
[M]+ 672.09815 268.7
[M]- 672.09925 268.7
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.