CID 15947275

1-(6-bromo-2-methoxy-3-quinolyl)-5-(dimethylamino)-1,2-diphenyl-pentan-2-ol

Structural Information

Molecular Formula
C29H31BrN2O2
SMILES
CN(C)CCCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O
InChI
InChI=1S/C29H31BrN2O2/c1-32(2)18-10-17-29(33,23-13-8-5-9-14-23)27(21-11-6-4-7-12-21)25-20-22-19-24(30)15-16-26(22)31-28(25)34-3/h4-9,11-16,19-20,27,33H,10,17-18H2,1-3H3
InChIKey
LQKCMRHYZGGNGI-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-5-(dimethylamino)-1,2-diphenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

518.15686 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.16414 224.0
[M+Na]+ 541.14608 229.3
[M-H]- 517.14958 233.6
[M+NH4]+ 536.19068 232.3
[M+K]+ 557.12002 217.1
[M+H-H2O]+ 501.15412 218.9
[M+HCOO]- 563.15506 237.6
[M+CH3COO]- 577.17071 243.0
[M+Na-2H]- 539.13153 226.6
[M]+ 518.15631 243.7
[M]- 518.15741 243.7
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

patents stripe