CID 16788564

3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C13H8N2O3
SMILES
C1=CC=C(C=C1)C2=NOC3=C2C=C(C=N3)C(=O)O
InChI
InChI=1S/C13H8N2O3/c16-13(17)9-6-10-11(8-4-2-1-3-5-8)15-18-12(10)14-7-9/h1-7H,(H,16,17)
InChIKey
KHFHCPWZJQDGNG-UHFFFAOYSA-N
Compound name
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.0535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.060776 148.9
[M+Na]+ 263.042718 159.7
[M-H]- 239.046224 154.4
[M+NH4]+ 258.087323 164.5
[M+K]+ 279.016658 156.6
[M+H-H2O]+ 223.050760 141.0
[M+HCOO]- 285.051701 170.4
[M+CH3COO]- 299.067351 162.2
[M+Na-2H]- 261.028166 156.4
[M]+ 240.05295142 152.2
[M]- 240.05404858 152.2
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.