CID 3070487

N-methyl-3-piperidyl n-(7-chloro-4-quinolyl)anthraniloyloxyacetate

Structural Information

Molecular Formula
C24H24ClN3O4
SMILES
CN1CCCC(C1)OC(=O)COC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C24H24ClN3O4/c1-28-12-4-5-17(14-28)32-23(29)15-31-24(30)19-6-2-3-7-20(19)27-21-10-11-26-22-13-16(25)8-9-18(21)22/h2-3,6-11,13,17H,4-5,12,14-15H2,1H3,(H,26,27)
InChIKey
QIHGWOPUHRUCAM-UHFFFAOYSA-N
Compound name
[2-(1-methylpiperidin-3-yl)oxy-2-oxoethyl] 2-[(7-chloroquinolin-4-yl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

453.14554 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.15282 206.6
[M+Na]+ 476.13476 220.6
[M+NH4]+ 471.17936 212.8
[M+K]+ 492.10870 212.6
[M-H]- 452.13826 211.9
[M+Na-2H]- 474.12021 213.9
[M]+ 453.14499 210.3
[M]- 453.14609 210.3
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