CID 3070489

86518-46-9

Structural Information

Molecular Formula
C30H28ClN3O4
SMILES
CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)COC(=O)C3=CC=CC=C3NC4=C5C=CC(=CC5=NC=C4)Cl
InChI
InChI=1S/C30H28ClN3O4/c1-34-17-14-30(15-18-34,21-7-3-2-4-8-21)38-28(35)20-37-29(36)24-9-5-6-10-25(24)33-26-13-16-32-27-19-22(31)11-12-23(26)27/h2-13,16,19H,14-15,17-18,20H2,1H3,(H,32,33)
InChIKey
LFRYMLIHTYNYAF-UHFFFAOYSA-N
Compound name
[2-(1-methyl-4-phenylpiperidin-4-yl)oxy-2-oxoethyl] 2-[(7-chloroquinolin-4-yl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

529.1768 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.18408 227.7
[M+Na]+ 552.16602 243.4
[M+NH4]+ 547.21062 235.3
[M+K]+ 568.13996 231.8
[M-H]- 528.16952 235.5
[M+Na-2H]- 550.15147 238.6
[M]+ 529.17625 232.6
[M]- 529.17735 232.6
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