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 158.7
[M+Na]+ 295.06892 169.3
[M-H]- 271.07242 165.5
[M+NH4]+ 290.11352 173.7
[M+K]+ 311.04286 168.5
[M+H-H2O]+ 255.07696 152.3
[M+HCOO]- 317.07790 178.9
[M+CH3COO]- 331.09355 172.0
[M+Na-2H]- 293.05437 161.6
[M]+ 272.07915 165.1
[M]- 272.08025 165.1
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.