CID 49767143

1-(6-bromo-2-methoxy-7-methyl-3-quinolyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C33H33BrN2O2
SMILES
CC1=CC2=NC(=C(C=C2C=C1Br)C(C3=CC=CC=C3)C(CCN(C)C)(C4=CC=CC5=CC=CC=C54)O)OC
InChI
InChI=1S/C33H33BrN2O2/c1-22-19-30-25(21-29(22)34)20-27(32(35-30)38-4)31(24-12-6-5-7-13-24)33(37,17-18-36(2)3)28-16-10-14-23-11-8-9-15-26(23)28/h5-16,19-21,31,37H,17-18H2,1-4H3
InChIKey
OZSCXJJBMJZEBT-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxy-7-methylquinolin-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

568.17255 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.17983 239.7
[M+Na]+ 591.16177 246.2
[M-H]- 567.16527 250.4
[M+NH4]+ 586.20637 247.0
[M+K]+ 607.13571 234.0
[M+H-H2O]+ 551.16981 233.7
[M+HCOO]- 613.17075 252.4
[M+CH3COO]- 627.18640 246.9
[M+Na-2H]- 589.14722 242.2
[M]+ 568.17200 260.7
[M]- 568.17310 260.7
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.