CID 93904

57980-07-1

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₃

SMILES

CC1=CC(=O)OC2=C1C=CC(=N2)N3CCOCC3

InChI

InChI=1S/C13H14N2O3/c1-9-8-12(16)18-13-10(9)2-3-11(14-13)15-4-6-17-7-5-15/h2-3,8H,4-7H2,1H3

InChIKey

UGHFUCYBDDPFJX-UHFFFAOYSA-N

Compound name

4-methyl-7-morpholin-4-ylpyrano[2,3-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 246.10045 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.10773	153.8
[M+Na]+	269.08967	169.3
[M+NH4]+	264.13427	161.8
[M+K]+	285.06361	162.9
[M-H]-	245.09317	160.0
[M+Na-2H]-	267.07512	160.3
[M]+	246.09990	157.8
[M]-	246.10100	157.8

Literature stripe

literature stripe

Patent stripe

patents stripe