CID 49767227

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

Structural Information

Molecular Formula
C27H28BrN3O2
SMILES
CN(C)CCC(C1=CN=CC=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O
InChI
InChI=1S/C27H28BrN3O2/c1-31(2)15-13-27(32,21-10-7-14-29-18-21)25(19-8-5-4-6-9-19)23-17-20-16-22(28)11-12-24(20)30-26(23)33-3/h4-12,14,16-18,25,32H,13,15H2,1-3H3
InChIKey
DPGUNLZTZHZHCT-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-1-phenyl-2-pyridin-3-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.1365 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.14378 217.4
[M+Na]+ 528.12572 223.6
[M-H]- 504.12922 226.3
[M+NH4]+ 523.17032 225.1
[M+K]+ 544.09966 211.5
[M+H-H2O]+ 488.13376 212.2
[M+HCOO]- 550.13470 230.6
[M+CH3COO]- 564.15035 240.1
[M+Na-2H]- 526.11117 221.6
[M]+ 505.13595 237.2
[M]- 505.13705 237.2
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.