CID 54679597

N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C19H17ClN2O4
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=CC(=C3)Cl)OC)O
InChI
InChI=1S/C19H17ClN2O4/c1-3-22-14-7-5-4-6-12(14)17(23)16(19(22)25)18(24)21-13-10-11(20)8-9-15(13)26-2/h4-10,23H,3H2,1-2H3,(H,21,24)
InChIKey
YQFZDUQQYULZPM-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

372.08768 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.09496 184.0
[M+Na]+ 395.07690 194.4
[M-H]- 371.08040 189.9
[M+NH4]+ 390.12150 196.3
[M+K]+ 411.05084 188.5
[M+H-H2O]+ 355.08494 175.9
[M+HCOO]- 417.08588 200.1
[M+CH3COO]- 431.10153 218.1
[M+Na-2H]- 393.06235 186.9
[M]+ 372.08713 189.9
[M]- 372.08823 189.9
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