CID 49767244

1-(6-bromo-2-methoxy-3-quinolyl)-2-(2-naphthyl)-1-phenyl-4-pyrrolidin-1-yl-butan-2-ol

Structural Information

Molecular Formula
C34H33BrN2O2
SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCN4CCCC4)(C5=CC6=CC=CC=C6C=C5)O
InChI
InChI=1S/C34H33BrN2O2/c1-39-33-30(23-27-22-29(35)15-16-31(27)36-33)32(25-10-3-2-4-11-25)34(38,17-20-37-18-7-8-19-37)28-14-13-24-9-5-6-12-26(24)21-28/h2-6,9-16,21-23,32,38H,7-8,17-20H2,1H3
InChIKey
NNQMLKGSINPCNZ-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-2-naphthalen-2-yl-1-phenyl-4-pyrrolidin-1-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.17255 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.17983 242.2
[M+Na]+ 603.16177 247.5
[M-H]- 579.16527 253.0
[M+NH4]+ 598.20637 248.5
[M+K]+ 619.13571 234.4
[M+H-H2O]+ 563.16981 237.0
[M+HCOO]- 625.17075 251.5
[M+CH3COO]- 639.18640 248.2
[M+Na-2H]- 601.14722 242.2
[M]+ 580.17200 258.8
[M]- 580.17310 258.8
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.