CID 5319888

Moracin e

Structural Information

Molecular Formula

C₁₉H₁₆O₄

SMILES

CC1(C=CC2=C(C=C(C=C2O1)O)C3=CC4=C(O3)C=C(C=C4)O)C

InChI

InChI=1S/C19H16O4/c1-19(2)6-5-14-15(8-13(21)10-18(14)23-19)17-7-11-3-4-12(20)9-16(11)22-17/h3-10,20-21H,1-2H3

InChIKey

GDSYWTBPYYYLLE-UHFFFAOYSA-N

Compound name

5-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-7-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 2
Patents: 308.10486 Da
Monoisotopic Mass: 4.2
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]+	309.11214	169.4
[M+Na]+	331.09408	181.4
[M-H]-	307.09758	178.5
[M+NH4]+	326.13868	186.8
[M+K]+	347.06802	178.3
[M+H-H2O]+	291.10212	163.1
[M+HCOO]-	353.10306	188.2
[M+CH3COO]-	367.11871	182.5
[M+Na-2H]-	329.07953	176.1
[M]+	308.10431	174.4
[M]-	308.10541	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe