CID 49767127

1-(6-bromo-2-methoxy-3-quinolyl)-2-(4-chlorophenyl)-4-(dimethylamino)-1-phenyl-butan-2-ol

Structural Information

Molecular Formula
C28H28BrClN2O2
SMILES
CN(C)CCC(C1=CC=C(C=C1)Cl)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O
InChI
InChI=1S/C28H28BrClN2O2/c1-32(2)16-15-28(33,21-9-12-23(30)13-10-21)26(19-7-5-4-6-8-19)24-18-20-17-22(29)11-14-25(20)31-27(24)34-3/h4-14,17-18,26,33H,15-16H2,1-3H3
InChIKey
LKNDZVKVTLGWQU-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-2-(4-chlorophenyl)-4-(dimethylamino)-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.1023 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.10958 224.2
[M+Na]+ 561.09152 231.9
[M-H]- 537.09502 234.3
[M+NH4]+ 556.13612 233.1
[M+K]+ 577.06546 218.5
[M+H-H2O]+ 521.09956 219.9
[M+HCOO]- 583.10050 234.0
[M+CH3COO]- 597.11615 244.6
[M+Na-2H]- 559.07697 226.6
[M]+ 538.10175 246.7
[M]- 538.10285 246.7
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.