CID 3072034

Oxazolo(4,5-b)pyridin-2(3h)-one, 3-(2-(4-morpholinyl)ethyl)-

Structural Information

Molecular Formula
C12H15N3O3
SMILES
C1COCCN1CCN2C3=C(C=CC=N3)OC2=O
InChI
InChI=1S/C12H15N3O3/c16-12-15(5-4-14-6-8-17-9-7-14)11-10(18-12)2-1-3-13-11/h1-3H,4-9H2
InChIKey
FTNDZQVIQZUANZ-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-ylethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

249.11134 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11862 153.2
[M+Na]+ 272.10056 162.2
[M-H]- 248.10406 158.0
[M+NH4]+ 267.14516 166.3
[M+K]+ 288.07450 160.9
[M+H-H2O]+ 232.10860 144.1
[M+HCOO]- 294.10954 170.8
[M+CH3COO]- 308.12519 165.3
[M+Na-2H]- 270.08601 159.8
[M]+ 249.11079 155.3
[M]- 249.11189 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe