CID 49767255

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

Structural Information

Molecular Formula
C32H36BrN3O3
SMILES
CN(C)CCC(C1=CC=C(C=C1)N2CCOCC2)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI
InChI=1S/C32H36BrN3O3/c1-35(2)16-15-32(37,25-9-12-27(13-10-25)36-17-19-39-20-18-36)30(23-7-5-4-6-8-23)28-22-24-21-26(33)11-14-29(24)34-31(28)38-3/h4-14,21-22,30,37H,15-20H2,1-3H3
InChIKey
VRIZSPNLAYZSRK-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-(4-morpholin-4-ylphenyl)-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

589.194 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.20128 240.1
[M+Na]+ 612.18322 242.6
[M-H]- 588.18672 250.7
[M+NH4]+ 607.22782 242.2
[M+K]+ 628.15716 232.4
[M+H-H2O]+ 572.19126 233.2
[M+HCOO]- 634.19220 247.7
[M+CH3COO]- 648.20785 245.2
[M+Na-2H]- 610.16867 240.7
[M]+ 589.19345 256.6
[M]- 589.19455 256.6
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.