CID 1778908

137988-21-7

Structural Information

Molecular Formula

C₁₉H₁₄O₇

SMILES

CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H14O7/c1-11(20)25-14-7-8-15-16(9-14)24-10-17(18(15)21)26-13-5-3-12(4-6-13)19(22)23-2/h3-10H,1-2H3

InChIKey

WIKLVWCKOMIMAW-UHFFFAOYSA-N

Compound name

methyl 4-(7-acetyloxy-4-oxochromen-3-yl)oxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 354.07394 Da
Monoisotopic Mass: 2.9
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]+	355.081216	176.6
[M+Na]+	377.063158	185.5
[M-H]-	353.066664	185.7
[M+NH4]+	372.107763	188.8
[M+K]+	393.037098	185.1
[M+H-H2O]+	337.071200	167.7
[M+HCOO]-	399.072141	197.8
[M+CH3COO]-	413.087791	212.9
[M+Na-2H]-	375.048606	181.1
[M]+	354.07339142	184.8
[M]-	354.07448858	184.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe