CID 659276

67867-48-5

Structural Information

Molecular Formula

C₁₆H₁₃NO₃

SMILES

CC1=CC2=C(C=C1)OC3=NC(=C(C=C3C2=O)C(=O)C)C

InChI

InChI=1S/C16H13NO3/c1-8-4-5-14-12(6-8)15(19)13-7-11(10(3)18)9(2)17-16(13)20-14/h4-7H,1-3H3

InChIKey

XUDCPGKZAWCMIA-UHFFFAOYSA-N

Compound name

3-acetyl-2,7-dimethylchromeno[2,3-b]pyridin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 267.08954 Da
Monoisotopic Mass: 2.7
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]+	268.09682	157.4
[M+Na]+	290.07876	170.4
[M-H]-	266.08226	163.8
[M+NH4]+	285.12336	174.2
[M+K]+	306.05270	167.2
[M+H-H2O]+	250.08680	149.8
[M+HCOO]-	312.08774	178.3
[M+CH3COO]-	326.10339	201.6
[M+Na-2H]-	288.06421	165.1
[M]+	267.08899	164.0
[M]-	267.09009	164.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.