CID 49767233

1-(6-bromo-2-methoxy-3-quinolyl)-2-(5-bromo-2-naphthyl)-4-(dimethylamino)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C32H30Br2N2O2
SMILES
CN(C)CCC(C1=CC2=C(C=C1)C(=CC=C2)Br)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI
InChI=1S/C32H30Br2N2O2/c1-36(2)17-16-32(37,24-12-14-26-22(18-24)10-7-11-28(26)34)30(21-8-5-4-6-9-21)27-20-23-19-25(33)13-15-29(23)35-31(27)38-3/h4-15,18-20,30,37H,16-17H2,1-3H3
InChIKey
LLEMNKQOIRMPCR-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-2-(5-bromonaphthalen-2-yl)-4-(dimethylamino)-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.0674 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.07468 230.1
[M+Na]+ 655.05662 235.1
[M-H]- 631.06012 239.8
[M+NH4]+ 650.10122 237.1
[M+K]+ 671.03056 221.3
[M+H-H2O]+ 615.06466 233.7
[M+HCOO]- 677.06560 238.8
[M+CH3COO]- 691.08125 236.8
[M+Na-2H]- 653.04207 232.2
[M]+ 632.06685 265.0
[M]- 632.06795 265.0
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.