CID 49767207

1-(6-bromo-2-methoxy-3-quinolyl)-4-(diethylamino)-1,2-diphenyl-butan-2-ol

Structural Information

Molecular Formula
C30H33BrN2O2
SMILES
CCN(CC)CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Br)OC)O
InChI
InChI=1S/C30H33BrN2O2/c1-4-33(5-2)19-18-30(34,24-14-10-7-11-15-24)28(22-12-8-6-9-13-22)26-21-23-20-25(31)16-17-27(23)32-29(26)35-3/h6-17,20-21,28,34H,4-5,18-19H2,1-3H3
InChIKey
SIFOBULKEJTOFT-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-4-(diethylamino)-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.17255 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.17983 228.3
[M+Na]+ 555.16177 233.2
[M-H]- 531.16527 237.7
[M+NH4]+ 550.20637 236.1
[M+K]+ 571.13571 220.8
[M+H-H2O]+ 515.16981 223.1
[M+HCOO]- 577.17075 241.6
[M+CH3COO]- 591.18640 245.6
[M+Na-2H]- 553.14722 230.5
[M]+ 532.17200 248.4
[M]- 532.17310 248.4
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.