CID 49767245

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

Structural Information

Molecular Formula
C35H35BrN2O2
SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCN4CCCCC4)(C5=CC6=CC=CC=C6C=C5)O
InChI
InChI=1S/C35H35BrN2O2/c1-40-34-31(24-28-23-30(36)16-17-32(28)37-34)33(26-11-4-2-5-12-26)35(39,18-21-38-19-8-3-9-20-38)29-15-14-25-10-6-7-13-27(25)22-29/h2,4-7,10-17,22-24,33,39H,3,8-9,18-21H2,1H3
InChIKey
QHLIDMUGGNQGFY-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-2-naphthalen-2-yl-1-phenyl-4-piperidin-1-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.1882 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.19548 244.8
[M+Na]+ 617.17742 248.4
[M-H]- 593.18092 254.1
[M+NH4]+ 612.22202 248.3
[M+K]+ 633.15136 235.1
[M+H-H2O]+ 577.18546 237.8
[M+HCOO]- 639.18640 251.2
[M+CH3COO]- 653.20205 249.3
[M+Na-2H]- 615.16287 246.3
[M]+ 594.18765 259.0
[M]- 594.18875 259.0
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.