CID 54592812

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

Structural Information

Molecular Formula
C14H10N2O3
SMILES
CC1=CC=CC=C1C2=NOC3=C2C=C(C=N3)C(=O)O
InChI
InChI=1S/C14H10N2O3/c1-8-4-2-3-5-10(8)12-11-6-9(14(17)18)7-15-13(11)19-16-12/h2-7H,1H3,(H,17,18)
InChIKey
JIUDUNZWOYVAPJ-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.06914 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.07642 154.1
[M+Na]+ 277.05836 169.7
[M+NH4]+ 272.10296 161.6
[M+K]+ 293.03230 165.6
[M-H]- 253.06186 158.1
[M+Na-2H]- 275.04381 161.7
[M]+ 254.06859 157.5
[M]- 254.06969 157.5
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.