CID 49767214

1-(7-bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C32H31BrN2O2
SMILES
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=C(C=CC5=C4)Br)OC)O
InChI
InChI=1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-20-24-16-17-25(33)21-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3
InChIKey
VTVPXQVMYBNNFL-UHFFFAOYSA-N
Compound name
1-(7-bromo-2-methoxyquinolin-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

554.15686 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.16414 234.6
[M+Na]+ 577.14608 240.8
[M-H]- 553.14958 245.1
[M+NH4]+ 572.19068 242.2
[M+K]+ 593.12002 228.6
[M+H-H2O]+ 537.15412 228.8
[M+HCOO]- 599.15506 247.7
[M+CH3COO]- 613.17071 242.0
[M+Na-2H]- 575.13153 238.4
[M]+ 554.15631 255.0
[M]- 554.15741 255.0
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.