CID 15979077

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

Structural Information

Molecular Formula
C29H26BrN3O2
SMILES
COC1=C(C=C2C=C(C=CC2=N1)Br)C(C3=CC=CC=C3)C(CCN4C=CN=C4)(C5=CC=CC=C5)O
InChI
InChI=1S/C29H26BrN3O2/c1-35-28-25(19-22-18-24(30)12-13-26(22)32-28)27(21-8-4-2-5-9-21)29(34,23-10-6-3-7-11-23)14-16-33-17-15-31-20-33/h2-13,15,17-20,27,34H,14,16H2,1H3
InChIKey
FPFYXJJWGPSORY-UHFFFAOYSA-N
Compound name
1-(6-bromo-2-methoxyquinolin-3-yl)-4-imidazol-1-yl-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

527.12085 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.12813 223.3
[M+Na]+ 550.11007 231.2
[M-H]- 526.11357 233.6
[M+NH4]+ 545.15467 230.0
[M+K]+ 566.08401 217.9
[M+H-H2O]+ 510.11811 218.6
[M+HCOO]- 572.11905 236.4
[M+CH3COO]- 586.13470 231.5
[M+Na-2H]- 548.09552 226.6
[M]+ 527.12030 242.9
[M]- 527.12140 242.9
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

patents stripe