CID 54683109

Butyl 4-({[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydroquinolin-3-yl]carbonyl}amino)benzoate

Structural Information

Molecular Formula
C26H30N2O5
SMILES
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3N(C2=O)CCC(C)C)O
InChI
InChI=1S/C26H30N2O5/c1-4-5-16-33-26(32)18-10-12-19(13-11-18)27-24(30)22-23(29)20-8-6-7-9-21(20)28(25(22)31)15-14-17(2)3/h6-13,17,29H,4-5,14-16H2,1-3H3,(H,27,30)
InChIKey
FSGQIJWHVJDTGI-UHFFFAOYSA-N
Compound name
butyl 4-[[4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carbonyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.21548 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.22276 210.8
[M+Na]+ 473.20470 215.6
[M-H]- 449.20820 215.2
[M+NH4]+ 468.24930 218.1
[M+K]+ 489.17864 211.2
[M+H-H2O]+ 433.21274 200.5
[M+HCOO]- 495.21368 227.1
[M+CH3COO]- 509.22933 236.5
[M+Na-2H]- 471.19015 209.0
[M]+ 450.21493 215.5
[M]- 450.21603 215.5
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

No patent data available for this compound.