CID 114904

131631-89-5

Structural Information

Molecular Formula
C26H31N3O4
SMILES
CC(=O)NCCCOC1=CC=C(C=C1)C(=O)N2CCC(CC2)N3C(=O)CCC4=CC=CC=C43
InChI
InChI=1S/C26H31N3O4/c1-19(30)27-15-4-18-33-23-10-7-21(8-11-23)26(32)28-16-13-22(14-17-28)29-24-6-3-2-5-20(24)9-12-25(29)31/h2-3,5-8,10-11,22H,4,9,12-18H2,1H3,(H,27,30)
InChIKey
KSNUCNRMDYJBKT-UHFFFAOYSA-N
Compound name
N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

136
References

518
Patents

449.23145 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.23873 210.3
[M+Na]+ 472.22067 221.1
[M+NH4]+ 467.26527 215.4
[M+K]+ 488.19461 214.0
[M-H]- 448.22417 214.7
[M+Na-2H]- 470.20612 215.1
[M]+ 449.23090 212.7
[M]- 449.23200 212.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe