Metabolite PRT062982

Name

PRT062982

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

KQ7WB43S8V

CAS number

Not Available

Weight

Average: 293.71
Monoisotopic: 293.056719

Chemical Formula

C₁₃H₁₂ClN₃O₃

InChI Key

IJDBMWVWCDYZQU-UHFFFAOYSA-N

InChI

InChI=1S/C13H12ClN3O3/c1-20-8-4-9(12(15)10(18)5-8)13(19)17-11-3-2-7(14)6-16-11/h2-6,18H,15H2,1H3,(H,16,17,19)

IUPAC Name

2-amino-N-(5-chloropyridin-2-yl)-3-hydroxy-5-methoxybenzamide

SMILES

COC1=CC(O)=C(N)C(=C1)C(=O)NC1=CC=C(Cl)C=N1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fdo-0950000000-7d835480d83af7b10ade
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014l-0940000000-2c6ae84c8605fa7c715b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004l-0290000000-91ed03621309d1fc8a35
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0230-2930000000-8c665d30f78aa7735870
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-06y9-2930000000-7f530ec6b19b15a4e175
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fl0-2900000000-d48cb127aaa216f2bbde

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	167.00963	predicted	DeepCCS 1.0 (2019)
[M+H]+	169.36763	predicted	DeepCCS 1.0 (2019)
[M+Na]+	175.46077	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties