CID 3070488

86518-44-7

Structural Information

Molecular Formula
C24H24ClN3O4
SMILES
CN1CCC(CC1)OC(=O)COC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C24H24ClN3O4/c1-28-12-9-17(10-13-28)32-23(29)15-31-24(30)19-4-2-3-5-20(19)27-21-8-11-26-22-14-16(25)6-7-18(21)22/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,26,27)
InChIKey
QPSNJJQJDIKLHN-UHFFFAOYSA-N
Compound name
[2-(1-methylpiperidin-4-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 205.9
[M+Na]+ 476.13476 210.4
[M-H]- 452.13826 212.4
[M+NH4]+ 471.17936 212.4
[M+K]+ 492.10870 204.7
[M+H-H2O]+ 436.14280 194.1
[M+HCOO]- 498.14374 216.2
[M+CH3COO]- 512.15939 232.5
[M+Na-2H]- 474.12021 206.7
[M]+ 453.14499 207.2
[M]- 453.14609 207.2
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