CID 16641424

938001-71-9

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₄

SMILES

CC1=NOC2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C15H12N2O4/c1-8-13-11(15(18)19)7-12(16-14(13)21-17-8)9-3-5-10(20-2)6-4-9/h3-7H,1-2H3,(H,18,19)

InChIKey

BDPROYIKHJBWFQ-UHFFFAOYSA-N

Compound name

6-(4-methoxyphenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.0797 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.086976	161.7
[M+Na]+	307.068918	173.1
[M-H]-	283.072424	167.7
[M+NH4]+	302.113523	176.0
[M+K]+	323.042858	170.4
[M+H-H2O]+	267.076960	153.7
[M+HCOO]-	329.077901	182.6
[M+CH3COO]-	343.093551	174.7
[M+Na-2H]-	305.054366	166.7
[M]+	284.07915142	167.9
[M]-	284.08024858	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.