CID 19972541

35888-94-9

Structural Information

Molecular Formula

C₁₉H₁₆O₄

SMILES

CCOC(=O)C1=CC=CC2=C1OC(=C(C2=O)C)C3=CC=CC=C3

InChI

InChI=1S/C19H16O4/c1-3-22-19(21)15-11-7-10-14-16(20)12(2)17(23-18(14)15)13-8-5-4-6-9-13/h4-11H,3H2,1-2H3

InChIKey

NFRGNMIIGIZYDL-UHFFFAOYSA-N

Compound name

ethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 19
Patents: 308.10486 Da
Monoisotopic Mass: 4.1
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]+	309.11214	169.6
[M+Na]+	331.09408	179.2
[M-H]-	307.09758	178.7
[M+NH4]+	326.13868	184.3
[M+K]+	347.06802	176.6
[M+H-H2O]+	291.10212	161.3
[M+HCOO]-	353.10306	191.2
[M+CH3COO]-	367.11871	206.6
[M+Na-2H]-	329.07953	174.8
[M]+	308.10431	174.9
[M]-	308.10541	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe