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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08698 157.7
[M+Na]+ 295.06892 170.8
[M+NH4]+ 290.11352 164.0
[M+K]+ 311.04286 171.0
[M-H]- 271.07242 161.4
[M+Na-2H]- 293.05437 162.1
[M]+ 272.07915 160.5
[M]- 272.08025 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.