CID 478699

Chembl289579

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)NO
InChI
InChI=1S/C17H15N3O3/c1-2-20-10-14(17(22)19-23)16(21)13-4-3-12(9-15(13)20)11-5-7-18-8-6-11/h3-10,23H,2H2,1H3,(H,19,22)
InChIKey
FOUGVWDLFAGGLY-UHFFFAOYSA-N
Compound name
1-ethyl-N-hydroxy-4-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

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 170.9
[M+Na]+ 332.10055 179.9
[M-H]- 308.10405 175.2
[M+NH4]+ 327.14515 183.0
[M+K]+ 348.07449 174.5
[M+H-H2O]+ 292.10859 161.3
[M+HCOO]- 354.10953 190.7
[M+CH3COO]- 368.12518 206.5
[M+Na-2H]- 330.08600 176.7
[M]+ 309.11078 171.9
[M]- 309.11188 171.9
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