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 154.0
[M+Na]+ 277.05836 165.2
[M-H]- 253.06186 159.7
[M+NH4]+ 272.10296 169.3
[M+K]+ 293.03230 161.9
[M+H-H2O]+ 237.06640 146.1
[M+HCOO]- 299.06734 175.1
[M+CH3COO]- 313.08299 167.2
[M+Na-2H]- 275.04381 160.2
[M]+ 254.06859 158.0
[M]- 254.06969 158.0
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.