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]+ 235.10773 151.1
[M+Na]+ 257.08967 164.1
[M+NH4]+ 252.13427 157.6
[M+K]+ 273.06361 160.9
[M-H]- 233.09317 152.1
[M+Na-2H]- 255.07512 154.9
[M]+ 234.09990 153.1
[M]- 234.10100 153.1
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