CID 54688493

Chembl40702

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CCN1C2=C(C=CC(=C2)C3=CC=NC=C3)C(=C(C1=O)C(=O)N)O
InChI
InChI=1S/C17H15N3O3/c1-2-20-13-9-11(10-5-7-19-8-6-10)3-4-12(13)15(21)14(16(18)22)17(20)23/h3-9,21H,2H2,1H3,(H2,18,22)
InChIKey
LEZSOSHNPQERMQ-UHFFFAOYSA-N
Compound name
1-ethyl-4-hydroxy-2-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

309.11133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 172.0
[M+Na]+ 332.10055 181.8
[M-H]- 308.10405 176.1
[M+NH4]+ 327.14515 184.0
[M+K]+ 348.07449 176.2
[M+H-H2O]+ 292.10859 162.7
[M+HCOO]- 354.10953 191.1
[M+CH3COO]- 368.12518 207.9
[M+Na-2H]- 330.08600 175.9
[M]+ 309.11078 172.5
[M]- 309.11188 172.5
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.