CID 49767217

1-(6-bromo-2-methoxy-7-methyl-3-quinolyl)-4-[ethyl(methyl)amino]-2-(1-naphthyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C34H35BrN2O2
SMILES
CCN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=C(C(=CC5=C4)Br)C)OC)O
InChI
InChI=1S/C34H35BrN2O2/c1-5-37(3)19-18-34(38,29-17-11-15-24-12-9-10-16-27(24)29)32(25-13-7-6-8-14-25)28-21-26-22-30(35)23(2)20-31(26)36-33(28)39-4/h6-17,20-22,32,38H,5,18-19H2,1-4H3
InChIKey
UANWVIYHHSABAZ-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxy-7-methylquinolin-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

582.1882 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.19548 244.1
[M+Na]+ 605.17742 250.1
[M-H]- 581.18092 254.5
[M+NH4]+ 600.22202 250.7
[M+K]+ 621.15136 237.7
[M+H-H2O]+ 565.18546 237.8
[M+HCOO]- 627.18640 256.3
[M+CH3COO]- 641.20205 250.7
[M+Na-2H]- 603.16287 246.0
[M]+ 582.18765 265.3
[M]- 582.18875 265.3
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.