CID 49767226

1-(6-bromo-2-methoxy-3-quinolyl)-4-[ethyl(methyl)amino]-2-(1-naphthyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C33H33BrN2O2
SMILES
CCN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI
InChI=1S/C33H33BrN2O2/c1-4-36(2)20-19-33(37,29-16-10-14-23-11-8-9-15-27(23)29)31(24-12-6-5-7-13-24)28-22-25-21-26(34)17-18-30(25)35-32(28)38-3/h5-18,21-22,31,37H,4,19-20H2,1-3H3
InChIKey
KJZRKMSMUUCHAU-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-4-[ethyl(methyl)amino]-2-naphthalen-1-yl-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.17255 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.17983 239.0
[M+Na]+ 591.16177 244.7
[M-H]- 567.16527 249.2
[M+NH4]+ 586.20637 246.0
[M+K]+ 607.13571 232.4
[M+H-H2O]+ 551.16981 232.9
[M+HCOO]- 613.17075 251.7
[M+CH3COO]- 627.18640 245.8
[M+Na-2H]- 589.14722 242.2
[M]+ 568.17200 259.6
[M]- 568.17310 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.