CID 54683103

300833-95-8

Structural Information

Molecular Formula
C26H30N2O5
SMILES
CCCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)C(=O)OCCC)O
InChI
InChI=1S/C26H30N2O5/c1-3-5-6-9-16-28-21-11-8-7-10-20(21)23(29)22(25(28)31)24(30)27-19-14-12-18(13-15-19)26(32)33-17-4-2/h7-8,10-15,29H,3-6,9,16-17H2,1-2H3,(H,27,30)
InChIKey
MDLUYYGRCGDKGL-UHFFFAOYSA-N
Compound name
propyl 4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

159
Patents

450.21548 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.22276 211.1
[M+Na]+ 473.20470 216.2
[M-H]- 449.20820 215.4
[M+NH4]+ 468.24930 218.5
[M+K]+ 489.17864 211.2
[M+H-H2O]+ 433.21274 200.5
[M+HCOO]- 495.21368 228.4
[M+CH3COO]- 509.22933 235.6
[M+Na-2H]- 471.19015 210.4
[M]+ 450.21493 216.3
[M]- 450.21603 216.3
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