CID 49767131

1-(2,6-dimethoxy-3-quinolyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C33H34N2O3
SMILES
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)OC)OC)O
InChI
InChI=1S/C33H34N2O3/c1-35(2)20-19-33(36,29-16-10-14-23-11-8-9-15-27(23)29)31(24-12-6-5-7-13-24)28-22-25-21-26(37-3)17-18-30(25)34-32(28)38-4/h5-18,21-22,31,36H,19-20H2,1-4H3
InChIKey
OHZRXQWMEWSURO-UHFFFAOYSA-N
Compound name
1-(2,6-dimethoxyquinolin-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

506.25696 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.26424 229.3
[M+Na]+ 529.24618 233.3
[M-H]- 505.24968 238.0
[M+NH4]+ 524.29078 234.6
[M+K]+ 545.22012 227.7
[M+H-H2O]+ 489.25422 215.9
[M+HCOO]- 551.25516 244.6
[M+CH3COO]- 565.27081 235.3
[M+Na-2H]- 527.23163 232.9
[M]+ 506.25641 233.6
[M]- 506.25751 233.6
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.