CID 54676688

1-ethyl-4-hydroxy-n-(2-hydroxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C18H16N2O4
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3O)O
InChI
InChI=1S/C18H16N2O4/c1-2-20-13-9-5-3-7-11(13)16(22)15(18(20)24)17(23)19-12-8-4-6-10-14(12)21/h3-10,21-22H,2H2,1H3,(H,19,23)
InChIKey
RIKUKGBZSHDUPL-UHFFFAOYSA-N
Compound name
1-ethyl-4-hydroxy-N-(2-hydroxyphenyl)-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

324.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11828 173.7
[M+Na]+ 347.10022 182.5
[M-H]- 323.10372 178.3
[M+NH4]+ 342.14482 186.1
[M+K]+ 363.07416 177.3
[M+H-H2O]+ 307.10826 165.1
[M+HCOO]- 369.10920 193.1
[M+CH3COO]- 383.12485 208.1
[M+Na-2H]- 345.08567 177.8
[M]+ 324.11045 174.7
[M]- 324.11155 174.7
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