CID 10923878

Ovalitenin a

Structural Information

Molecular Formula

C₁₈H₁₄O₃

SMILES

COC1=C(C=CC2=C1C=CO2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H14O3/c1-20-18-14(8-10-17-15(18)11-12-21-17)16(19)9-7-13-5-3-2-4-6-13/h2-12H,1H3/b9-7+

InChIKey

KEJNXXMRDHDOCO-VQHVLOKHSA-N

Compound name

(E)-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 278.0943 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]+	279.10158	162.9
[M+Na]+	301.08352	172.3
[M-H]-	277.08702	171.8
[M+NH4]+	296.12812	180.4
[M+K]+	317.05746	168.8
[M+H-H2O]+	261.09156	155.8
[M+HCOO]-	323.09250	187.0
[M+CH3COO]-	337.10815	198.3
[M+Na-2H]-	299.06897	168.2
[M]+	278.09375	167.8
[M]-	278.09485	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe