CID 5276193

{2-[2-(4'-chloro-biphen-2-yl)-7-fluoro-quinolin-6-yl]-1-cyclohexyl-1h-benzoimidazol-5-yl}-(4-hydroxy-piperidin-1-yl)-methanone

Structural Information

Molecular Formula
C40H36ClFN4O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N4CCC(CC4)O)N=C2C5=C(C=C6C(=C5)C=CC(=N6)C7=CC=CC=C7C8=CC=C(C=C8)Cl)F
InChI
InChI=1S/C40H36ClFN4O2/c41-28-14-10-25(11-15-28)31-8-4-5-9-32(31)35-16-12-26-22-33(34(42)24-36(26)43-35)39-44-37-23-27(40(48)45-20-18-30(47)19-21-45)13-17-38(37)46(39)29-6-2-1-3-7-29/h4-5,8-17,22-24,29-30,47H,1-3,6-7,18-21H2
InChIKey
UVIIAEQNWCQXAE-UHFFFAOYSA-N
Compound name
[2-[2-[2-(4-chlorophenyl)phenyl]-7-fluoroquinolin-6-yl]-1-cyclohexylbenzimidazol-5-yl]-(4-hydroxypiperidin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

658.2511 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.25838 260.4
[M+Na]+ 681.24032 264.1
[M-H]- 657.24382 270.1
[M+NH4]+ 676.28492 256.5
[M+K]+ 697.21426 252.4
[M+H-H2O]+ 641.24836 241.0
[M+HCOO]- 703.24930 259.1
[M+CH3COO]- 717.26495 261.0
[M+Na-2H]- 679.22577 251.7
[M]+ 658.25055 254.4
[M]- 658.25165 254.4
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

patents stripe