CID 3070490

N-ethyl-4-piperidyl n-(7-chloro-4-quinolyl)anthraniloyloxyacetate

Structural Information

Molecular Formula
C25H26ClN3O4
SMILES
CCN1CCC(CC1)OC(=O)COC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C25H26ClN3O4/c1-2-29-13-10-18(11-14-29)33-24(30)16-32-25(31)20-5-3-4-6-21(20)28-22-9-12-27-23-15-17(26)7-8-19(22)23/h3-9,12,15,18H,2,10-11,13-14,16H2,1H3,(H,27,28)
InChIKey
TUJJTBDZNYTIIN-UHFFFAOYSA-N
Compound name
[2-(1-ethylpiperidin-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

467.1612 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.16848 210.3
[M+Na]+ 490.15042 214.2
[M-H]- 466.15392 216.5
[M+NH4]+ 485.19502 216.1
[M+K]+ 506.12436 208.3
[M+H-H2O]+ 450.15846 198.2
[M+HCOO]- 512.15940 220.2
[M+CH3COO]- 526.17505 235.3
[M+Na-2H]- 488.13587 210.5
[M]+ 467.16065 211.8
[M]- 467.16175 211.8
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