CID 49767209

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

Structural Information

Molecular Formula
C27H27BrN2O2
SMILES
CN(C)CC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O
InChI
InChI=1S/C27H27BrN2O2/c1-30(2)18-27(31,21-12-8-5-9-13-21)25(19-10-6-4-7-11-19)23-17-20-16-22(28)14-15-24(20)29-26(23)32-3/h4-17,25,31H,18H2,1-3H3
InChIKey
GMJXAVNBEOAFDX-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-3-(dimethylamino)-1,2-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.12558 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.13286 215.1
[M+Na]+ 513.11480 221.4
[M-H]- 489.11830 225.2
[M+NH4]+ 508.15940 224.6
[M+K]+ 529.08874 209.6
[M+H-H2O]+ 473.12284 210.5
[M+HCOO]- 535.12378 229.5
[M+CH3COO]- 549.13943 237.7
[M+Na-2H]- 511.10025 218.9
[M]+ 490.12503 234.4
[M]- 490.12613 234.4
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.