CID 49767138

Chembl4162672

Structural Information

Molecular Formula
C32H32N2O2
SMILES
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=CC5=CC=CC=C5N=C4OC)O
InChI
InChI=1S/C32H32N2O2/c1-34(2)21-20-32(35,28-18-11-16-23-12-7-9-17-26(23)28)30(24-13-5-4-6-14-24)27-22-25-15-8-10-19-29(25)33-31(27)36-3/h4-19,22,30,35H,20-21H2,1-3H3
InChIKey
NKAVROHGKCODSQ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-(2-methoxyquinolin-3-yl)-2-naphthalen-1-yl-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

476.24637 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.25365 221.0
[M+Na]+ 499.23559 224.9
[M-H]- 475.23909 229.6
[M+NH4]+ 494.28019 227.5
[M+K]+ 515.20953 218.5
[M+H-H2O]+ 459.24363 208.0
[M+HCOO]- 521.24457 236.6
[M+CH3COO]- 535.26022 227.4
[M+Na-2H]- 497.22104 225.7
[M]+ 476.24582 223.2
[M]- 476.24692 223.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe