Metabolite 4-[(2-oxo-3,4- dihydro-1H-quinolin-7-yl)oxy]butanal

Name

4-[(2-oxo-3,4- dihydro-1H-quinolin-7-yl)oxy]butanal

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 233.267
Monoisotopic: 233.105193347

Chemical Formula

C₁₃H₁₅NO₃

InChI Key

UEXWWBPDALYPLF-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO3/c15-7-1-2-8-17-11-5-3-10-4-6-13(16)14-12(10)9-11/h3,5,7,9H,1-2,4,6,8H2,(H,14,16)

IUPAC Name

4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butanal

SMILES

[H]N1C(=O)C([H])([H])C([H])([H])C2=C1C([H])=C(OC([H])([H])C([H])([H])C([H])([H])C([H])=O)C([H])=C2[H]

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00lr-0090000000-3cc0da0315805a7ac388
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001l-1970000000-84ecf9a9d7b5d0af6b1e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-02tc-0890000000-b61444fc604384888b2e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0920000000-b7cae8ff1ba447ae134e
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-08fu-4910000000-3d680b74e4bd6683bd39
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03dl-1900000000-9117bba886eb6655e1c4

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	159.70024	predicted	DeepCCS 1.0 (2019)
[M+H]+	161.52513	predicted	DeepCCS 1.0 (2019)
[M+Na]+	167.13097	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties