CID 6251270

Isocordoin

Structural Information

Molecular Formula

C₂₀H₂₀O₃

SMILES

CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC=CC=C2)O)C

InChI

InChI=1S/C20H20O3/c1-14(2)8-10-16-19(22)13-11-17(20(16)23)18(21)12-9-15-6-4-3-5-7-15/h3-9,11-13,22-23H,10H2,1-2H3/b12-9+

InChIKey

CHWWSUSAPRACBZ-FMIVXFBMSA-N

Compound name

(E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 103
Patents: 308.14124 Da
Monoisotopic Mass: 5.5
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]+	309.14852	173.8
[M+Na]+	331.13046	180.0
[M-H]-	307.13396	177.7
[M+NH4]+	326.17506	187.2
[M+K]+	347.10440	174.1
[M+H-H2O]+	291.13850	166.5
[M+HCOO]-	353.13944	192.4
[M+CH3COO]-	367.15509	202.7
[M+Na-2H]-	329.11591	173.2
[M]+	308.14069	173.2
[M]-	308.14179	173.2

Literature stripe

literature stripe

Patent stripe

patents stripe