CID 49767223

[4-[1-[(6-bromo-2-methoxy-3-quinolyl)-phenyl-methyl]-3-(dimethylamino)-1-hydroxy-propyl]-1-piperidyl]-phenyl-methanone

Structural Information

Molecular Formula
C34H38BrN3O3
SMILES
CN(C)CCC(C1CCN(CC1)C(=O)C2=CC=CC=C2)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI
InChI=1S/C34H38BrN3O3/c1-37(2)21-18-34(40,27-16-19-38(20-17-27)33(39)25-12-8-5-9-13-25)31(24-10-6-4-7-11-24)29-23-26-22-28(35)14-15-30(26)36-32(29)41-3/h4-15,22-23,27,31,40H,16-21H2,1-3H3
InChIKey
GPVAMXHLJQULDO-UHFFFAOYSA-N
Compound name
[4-[1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-2-hydroxy-1-phenylbutan-2-yl]piperidin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

615.20966 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.21694 244.4
[M+Na]+ 638.19888 245.7
[M-H]- 614.20238 254.1
[M+NH4]+ 633.24348 246.5
[M+K]+ 654.17282 234.4
[M+H-H2O]+ 598.20692 237.6
[M+HCOO]- 660.20786 251.4
[M+CH3COO]- 674.22351 258.7
[M+Na-2H]- 636.18433 243.1
[M]+ 615.20911 259.7
[M]- 615.21021 259.7
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.