CID 43379424

6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CCCC1=NOC2=NC(=CC(=C12)C(=O)O)CC
InChI
InChI=1S/C12H14N2O3/c1-3-5-9-10-8(12(15)16)6-7(4-2)13-11(10)17-14-9/h6H,3-5H2,1-2H3,(H,15,16)
InChIKey
QSZIWYBYPFIIEO-UHFFFAOYSA-N
Compound name
6-ethyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.10045 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 151.0
[M+Na]+ 257.089668 161.8
[M-H]- 233.093174 153.2
[M+NH4]+ 252.134273 167.7
[M+K]+ 273.063608 159.6
[M+H-H2O]+ 217.097710 144.2
[M+HCOO]- 279.098651 171.4
[M+CH3COO]- 293.114301 189.9
[M+Na-2H]- 255.075116 156.0
[M]+ 234.09990142 156.9
[M]- 234.10099858 156.9
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

patents stripe