CID 10085385

Myrigalone h

Structural Information

Molecular Formula

C₁₇H₁₈O₄

SMILES

CC1=C(C(=C(C=C1O)OC)C(=O)CCC2=CC=CC=C2)O

InChI

InChI=1S/C17H18O4/c1-11-14(19)10-15(21-2)16(17(11)20)13(18)9-8-12-6-4-3-5-7-12/h3-7,10,19-20H,8-9H2,1-2H3

InChIKey

ZDJYWPQCNAPESX-UHFFFAOYSA-N

Compound name

1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 111
Patents: 286.1205 Da
Monoisotopic Mass: 3.7
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]+	287.12778	165.0
[M+Na]+	309.10972	172.8
[M-H]-	285.11322	169.7
[M+NH4]+	304.15432	179.7
[M+K]+	325.08366	169.0
[M+H-H2O]+	269.11776	157.8
[M+HCOO]-	331.11870	185.3
[M+CH3COO]-	345.13435	199.1
[M+Na-2H]-	307.09517	166.6
[M]+	286.11995	167.5
[M]-	286.12105	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe