CID 49767145

1-(6-bromo-2-morpholino-3-quinolyl)-4-(dimethylamino)-2-(1-naphthyl)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C35H36BrN3O2
SMILES
CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)N6CCOCC6)O
InChI
InChI=1S/C35H36BrN3O2/c1-38(2)18-17-35(40,31-14-8-12-25-9-6-7-13-29(25)31)33(26-10-4-3-5-11-26)30-24-27-23-28(36)15-16-32(27)37-34(30)39-19-21-41-22-20-39/h3-16,23-24,33,40H,17-22H2,1-2H3
InChIKey
KIFOFMVBEUIDFO-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-morpholin-4-ylquinolin-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

609.1991 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.20638 246.4
[M+Na]+ 632.18832 249.4
[M-H]- 608.19182 257.5
[M+NH4]+ 627.23292 248.3
[M+K]+ 648.16226 238.4
[M+H-H2O]+ 592.19636 238.9
[M+HCOO]- 654.19730 253.4
[M+CH3COO]- 668.21295 251.0
[M+Na-2H]- 630.17377 248.5
[M]+ 609.19855 261.9
[M]- 609.19965 261.9
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.