Metabolite N-(2-methyl-3-chloro-4-metoxyphenyl)-anthranilic acid

Name

N-(2-methyl-3-chloro-4-metoxyphenyl)-anthranilic acid

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 441.86
Monoisotopic: 441.1190444

Chemical Formula

C₂₀H₂₄ClNO₈

InChI Key

CMKSNAAPIZKVHR-UHFFFAOYSA-N

InChI

InChI=1S/C20H24ClNO8/c1-9-11(7-8-13(28-2)14(9)21)22-12-6-4-3-5-10(12)18(26)29-20-17(25)15(23)16(24)19(27)30-20/h3-8,15-20,22-27H,1-2H3

IUPAC Name

6-({2-[(3-chloro-4-methoxy-2-methylphenyl)amino]phenyl}(hydroxy)methoxy)oxane-2,3,4,5-tetrol

SMILES

COC1=CC=C(NC2=CC=CC=C2C(O)OC2OC(O)C(O)C(O)C2O)C(C)=C1Cl

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-056r-0190200000-4601097ea6d20d0b077e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00di-1390000000-9622018791ccb70057c5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-056r-0090000000-9fceed98d83c455ef7a2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9512000000-bcde970b22ce67090002
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0961000000-77f7bb15da21706b1dbc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-6090000000-f502a8752906fb30e326

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	184.29083	predicted	DeepCCS 1.0 (2019)
[M+H]+	186.64885	predicted	DeepCCS 1.0 (2019)
[M+Na]+	193.61446	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties