CID 54677787

4-hydroxy-n-(2-hydroxy-5-nitrophenyl)-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C21H21N3O6
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])O)O
InChI
InChI=1S/C21H21N3O6/c1-2-3-6-11-23-16-8-5-4-7-14(16)19(26)18(21(23)28)20(27)22-15-12-13(24(29)30)9-10-17(15)25/h4-5,7-10,12,25-26H,2-3,6,11H2,1H3,(H,22,27)
InChIKey
VAUDCLVMJCRQQU-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-hydroxy-5-nitrophenyl)-2-oxo-1-pentylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

411.14304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15032 194.3
[M+Na]+ 434.13226 199.7
[M-H]- 410.13576 198.2
[M+NH4]+ 429.17686 201.7
[M+K]+ 450.10620 190.8
[M+H-H2O]+ 394.14030 189.0
[M+HCOO]- 456.14124 213.2
[M+CH3COO]- 470.15689 219.2
[M+Na-2H]- 432.11771 198.4
[M]+ 411.14249 194.9
[M]- 411.14359 194.9
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.