CID 15979783

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

Structural Information

Molecular Formula
C32H30BrFN2O2
SMILES
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=C(C=C3)F)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI
InChI=1S/C32H30BrFN2O2/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
UWHDMGSXTNJBTA-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-1-(4-fluorophenyl)-2-naphthalen-1-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.14746 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.15474 240.2
[M+Na]+ 595.13668 247.2
[M-H]- 571.14018 249.7
[M+NH4]+ 590.18128 247.2
[M+K]+ 611.11062 234.6
[M+H-H2O]+ 555.14472 233.4
[M+HCOO]- 617.14566 252.2
[M+CH3COO]- 631.16131 247.1
[M+Na-2H]- 593.12213 242.4
[M]+ 572.14691 260.0
[M]- 572.14801 260.0
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.