CID 49767231

1-(6-bromo-2-methoxy-3-quinolyl)-1-(4-chlorophenyl)-4-(dimethylamino)-2-(1-naphthyl)butan-2-ol

Structural Information

Molecular Formula
C32H30BrClN2O2
SMILES
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=C(C=C3)Cl)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI
InChI=1S/C32H30BrClN2O2/c1-36(2)18-17-32(37,28-10-6-8-21-7-4-5-9-26(21)28)30(22-11-14-25(34)15-12-22)27-20-23-19-24(33)13-16-29(23)35-31(27)38-3/h4-16,19-20,30,37H,17-18H2,1-3H3
InChIKey
HBTNAIRXYSVNFA-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-1-(4-chlorophenyl)-4-(dimethylamino)-2-naphthalen-1-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.1179 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.12518 239.1
[M+Na]+ 611.10712 247.3
[M-H]- 587.11062 249.9
[M+NH4]+ 606.15172 246.8
[M+K]+ 627.08106 234.0
[M+H-H2O]+ 571.11516 233.9
[M+HCOO]- 633.11610 248.1
[M+CH3COO]- 647.13175 246.6
[M+Na-2H]- 609.09257 242.1
[M]+ 588.11735 262.6
[M]- 588.11845 262.6
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.