CID 177800005

Sodium 5-(quinolin-2-yl)-1,3-oxazole-2-carboxylate

Structural Information

Molecular Formula
C13H8N2O3
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3=CN=C(O3)C(=O)O
InChI
InChI=1S/C13H8N2O3/c16-13(17)12-14-7-11(18-12)10-6-5-8-3-1-2-4-9(8)15-10/h1-7H,(H,16,17)
InChIKey
PKWVTUDGRIWSBB-UHFFFAOYSA-N
Compound name
5-quinolin-2-yl-1,3-oxazole-2-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]+ 241.06078 148.9
[M+Na]+ 263.04272 159.7
[M-H]- 239.04622 154.4
[M+NH4]+ 258.08732 164.5
[M+K]+ 279.01666 156.6
[M+H-H2O]+ 223.05076 141.0
[M+HCOO]- 285.05170 170.4
[M+CH3COO]- 299.06735 162.2
[M+Na-2H]- 261.02817 156.4
[M]+ 240.05295 152.2
[M]- 240.05405 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.