CID 478701

Chembl290269

Structural Information

Molecular Formula
C18H17N3O3
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=NC=C3)C(=O)N(C)O
InChI
InChI=1S/C18H17N3O3/c1-3-21-11-15(18(23)20(2)24)17(22)14-5-4-13(10-16(14)21)12-6-8-19-9-7-12/h4-11,24H,3H2,1-2H3
InChIKey
FNFSVALNIIFHCV-UHFFFAOYSA-N
Compound name
1-ethyl-N-hydroxy-N-methyl-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.12698 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.134256 175.0
[M+Na]+ 346.116198 183.6
[M-H]- 322.119704 180.5
[M+NH4]+ 341.160803 187.1
[M+K]+ 362.090138 179.4
[M+H-H2O]+ 306.124240 165.1
[M+HCOO]- 368.125181 194.9
[M+CH3COO]- 382.140831 212.7
[M+Na-2H]- 344.101646 179.5
[M]+ 323.12643142 177.5
[M]- 323.12752858 177.5
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

No patent data available for this compound.