CID 49767220

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

Structural Information

Molecular Formula
C33H33BrN2O3
SMILES
CN(C)CCC(C1=CC2=C(C=C1)C=C(C=C2)OC)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI
InChI=1S/C33H33BrN2O3/c1-36(2)17-16-33(37,26-12-10-24-20-28(38-3)14-11-23(24)18-26)31(22-8-6-5-7-9-22)29-21-25-19-27(34)13-15-30(25)35-32(29)39-4/h5-15,18-21,31,37H,16-17H2,1-4H3
InChIKey
HCLJAVOMBZHGIB-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(6-methoxynaphthalen-2-yl)-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.1675 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.17478 242.1
[M+Na]+ 607.15672 248.2
[M-H]- 583.16022 252.6
[M+NH4]+ 602.20132 248.5
[M+K]+ 623.13066 236.8
[M+H-H2O]+ 567.16476 235.8
[M+HCOO]- 629.16570 254.8
[M+CH3COO]- 643.18135 249.0
[M+Na-2H]- 605.14217 244.8
[M]+ 584.16695 264.2
[M]- 584.16805 264.2
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.