CID 49767247

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

Structural Information

Molecular Formula
C35H37BrN2O2
SMILES
CCN(CC)CCCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI
InChI=1S/C35H37BrN2O2/c1-4-38(5-2)22-12-21-35(39,31-18-11-16-25-13-9-10-17-29(25)31)33(26-14-7-6-8-15-26)30-24-27-23-28(36)19-20-32(27)37-34(30)40-3/h6-11,13-20,23-24,33,39H,4-5,12,21-22H2,1-3H3
InChIKey
ZAQRRIXMFXRMGM-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-5-(diethylamino)-2-naphthalen-1-yl-1-phenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.20386 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.21114 247.6
[M+Na]+ 619.19308 252.4
[M-H]- 595.19658 257.4
[M+NH4]+ 614.23768 253.4
[M+K]+ 635.16702 239.7
[M+H-H2O]+ 579.20112 241.1
[M+HCOO]- 641.20206 259.6
[M+CH3COO]- 655.21771 253.5
[M+Na-2H]- 617.17853 249.8
[M]+ 596.20331 268.6
[M]- 596.20441 268.6
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.