CID 155976

Moracin i

Structural Information

Molecular Formula

C₂₀H₂₀O₄

SMILES

CC(=CCC1=C(C=C(C=C1OC)O)C2=CC3=C(O2)C=C(C=C3)O)C

InChI

InChI=1S/C20H20O4/c1-12(2)4-7-16-17(9-15(22)11-19(16)23-3)20-8-13-5-6-14(21)10-18(13)24-20/h4-6,8-11,21-22H,7H2,1-3H3

InChIKey

MRJQFSZVXAESPR-UHFFFAOYSA-N

Compound name

2-[5-hydroxy-3-methoxy-2-(3-methylbut-2-enyl)phenyl]-1-benzofuran-6-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4
Patents: 324.13617 Da
Monoisotopic Mass: 5.2
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]+	325.143446	176.5
[M+Na]+	347.125388	186.2
[M-H]-	323.128894	183.5
[M+NH4]+	342.169993	191.6
[M+K]+	363.099328	182.1
[M+H-H2O]+	307.133430	170.0
[M+HCOO]-	369.134371	196.8
[M+CH3COO]-	383.150021	206.2
[M+Na-2H]-	345.110836	177.9
[M]+	324.13562142	181.9
[M]-	324.13671858	181.9

Literature stripe

literature stripe

Patent stripe

patents stripe