CID 16783619

6-(furan-2-yl)-3-(propan-2-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₄

SMILES

CC(C)C1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C14H12N2O4/c1-7(2)12-11-8(14(17)18)6-9(10-4-3-5-19-10)15-13(11)20-16-12/h3-7H,1-2H3,(H,17,18)

InChIKey

PTTRIYWWTUUNKL-UHFFFAOYSA-N

Compound name

6-(furan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.0797 Da
Monoisotopic Mass: 2.4
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]+	273.086976	158.7
[M+Na]+	295.068918	169.3
[M-H]-	271.072424	165.5
[M+NH4]+	290.113523	173.7
[M+K]+	311.042858	168.5
[M+H-H2O]+	255.076960	152.3
[M+HCOO]-	317.077901	178.9
[M+CH3COO]-	331.093551	172.0
[M+Na-2H]-	293.054366	161.6
[M]+	272.07915142	165.1
[M]-	272.08024858	165.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.