CID 49767258

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

Structural Information

Molecular Formula
C34H33BrN2O3
SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCN4CCOCC4)(C5=CC=CC6=CC=CC=C65)O
InChI
InChI=1S/C34H33BrN2O3/c1-39-33-29(23-26-22-27(35)14-15-31(26)36-33)32(25-9-3-2-4-10-25)34(38,16-17-37-18-20-40-21-19-37)30-13-7-11-24-8-5-6-12-28(24)30/h2-15,22-23,32,38H,16-21H2,1H3
InChIKey
DKRDWKUFIYKODF-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-4-morpholin-4-yl-2-naphthalen-1-yl-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.1675 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.17478 243.8
[M+Na]+ 619.15672 247.8
[M-H]- 595.16022 254.0
[M+NH4]+ 614.20132 246.0
[M+K]+ 635.13066 236.6
[M+H-H2O]+ 579.16476 236.8
[M+HCOO]- 641.16570 249.9
[M+CH3COO]- 655.18135 248.6
[M+Na-2H]- 617.14217 246.1
[M]+ 596.16695 259.6
[M]- 596.16805 259.6
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.