CID 49767221

1-[6-bromo-2-(2-methoxyethoxy)-3-quinolyl]-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C34H35BrN2O3
SMILES
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OCCOC)O
InChI
InChI=1S/C34H35BrN2O3/c1-37(2)19-18-34(38,30-15-9-13-24-10-7-8-14-28(24)30)32(25-11-5-4-6-12-25)29-23-26-22-27(35)16-17-31(26)36-33(29)40-21-20-39-3/h4-17,22-23,32,38H,18-21H2,1-3H3
InChIKey
RRTWGJXAWMZKIB-UHFFFAOYSA-N
Compound name
1-[6-bromo-2-(2-methoxyethoxy)quinolin-3-yl]-4-(dimethylamino)-2-naphthalen-1-yl-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.1831 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.19038 245.5
[M+Na]+ 621.17232 250.4
[M-H]- 597.17582 255.5
[M+NH4]+ 616.21692 251.1
[M+K]+ 637.14626 238.8
[M+H-H2O]+ 581.18036 239.0
[M+HCOO]- 643.18130 257.9
[M+CH3COO]- 657.19695 251.7
[M+Na-2H]- 619.15777 248.4
[M]+ 598.18255 267.5
[M]- 598.18365 267.5
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.