CID 49767241

1-(6-bromo-2-methoxy-3-quinolyl)-4-(dimethylamino)-1-phenyl-2-tetralin-5-yl-butan-2-ol

Structural Information

Molecular Formula
C32H35BrN2O2
SMILES
CN(C)CCC(C1=CC=CC2=C1CCCC2)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
InChI
InChI=1S/C32H35BrN2O2/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)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-6,9,11-13,15-17,20-21,30,36H,7-8,10,14,18-19H2,1-3H3
InChIKey
WVJYTYJAZCXLLH-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(dimethylamino)-1-phenyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.1882 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.19548 235.5
[M+Na]+ 581.17742 239.1
[M-H]- 557.18092 244.9
[M+NH4]+ 576.22202 242.8
[M+K]+ 597.15136 227.1
[M+H-H2O]+ 541.18546 229.9
[M+HCOO]- 603.18640 244.8
[M+CH3COO]- 617.20205 241.5
[M+Na-2H]- 579.16287 236.7
[M]+ 558.18765 252.2
[M]- 558.18875 252.2
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.