CID 54683105

Stk087566

Structural Information

Molecular Formula
C23H24N2O5
SMILES
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3N(C2=O)CC)O
InChI
InChI=1S/C23H24N2O5/c1-3-5-14-30-23(29)15-10-12-16(13-11-15)24-21(27)19-20(26)17-8-6-7-9-18(17)25(4-2)22(19)28/h6-13,26H,3-5,14H2,1-2H3,(H,24,27)
InChIKey
ZMBKYQQBOOEPEQ-UHFFFAOYSA-N
Compound name
butyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.16852 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.17580 197.7
[M+Na]+ 431.15774 204.3
[M-H]- 407.16124 202.7
[M+NH4]+ 426.20234 206.9
[M+K]+ 447.13168 199.8
[M+H-H2O]+ 391.16578 187.7
[M+HCOO]- 453.16672 216.1
[M+CH3COO]- 467.18237 226.9
[M+Na-2H]- 429.14319 198.6
[M]+ 408.16797 202.0
[M]- 408.16907 202.0
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.