CID 49767259

1-(6-bromo-2-methoxy-3-quinolyl)-5-morpholino-2-(2-naphthyl)-1-phenyl-pentan-2-ol

Structural Information

Molecular Formula
C35H35BrN2O3
SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCCN4CCOCC4)(C5=CC6=CC=CC=C6C=C5)O
InChI
InChI=1S/C35H35BrN2O3/c1-40-34-31(24-28-23-30(36)14-15-32(28)37-34)33(26-9-3-2-4-10-26)35(39,16-7-17-38-18-20-41-21-19-38)29-13-12-25-8-5-6-11-27(25)22-29/h2-6,8-15,22-24,33,39H,7,16-21H2,1H3
InChIKey
RRIQDYAIRMHFOF-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-5-morpholin-4-yl-2-naphthalen-2-yl-1-phenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

610.1831 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.19038 247.9
[M+Na]+ 633.17232 251.5
[M-H]- 609.17582 257.9
[M+NH4]+ 628.21692 249.5
[M+K]+ 649.14626 240.1
[M+H-H2O]+ 593.18036 240.7
[M+HCOO]- 655.18130 253.6
[M+CH3COO]- 669.19695 252.3
[M+Na-2H]- 631.15777 249.7
[M]+ 610.18255 263.9
[M]- 610.18365 263.9
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.