Metabolite PRT062803

Name

PRT062803

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

QM4L396SZA

CAS number

Not Available

Weight

Average: 277.71
Monoisotopic: 277.0618043

Chemical Formula

C₁₃H₁₂ClN₃O₂

InChI Key

GCCIHZVIPXGAPR-UHFFFAOYSA-N

InChI

InChI=1S/C13H12ClN3O2/c1-19-9-3-4-11(15)10(6-9)13(18)17-12-5-2-8(14)7-16-12/h2-7H,15H2,1H3,(H,16,17,18)

IUPAC Name

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

SMILES

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

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0900000000-7bf396e3e05c6013e899
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-0920000000-99da548c3361df473c20
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0690000000-b49d70d0e64963905084
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-005a-5790000000-7ddc2f04d968960cc4ee
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00fu-9620000000-35788867a7d65fae703e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0pc0-5910000000-8f0a67918320f2dcdfc3

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	163.53001	predicted	DeepCCS 1.0 (2019)
[M+H]+	165.88802	predicted	DeepCCS 1.0 (2019)
[M+Na]+	171.98119	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties