CID 14781322

Linderatone

Structural Information

Molecular Formula

SMILES

CC1=CC(C(CC1)C(C)C)C2=C(C3=C(C=C2O)OC(CC3=O)C4=CC=CC=C4)O

InChI

InChI=1S/C25H28O4/c1-14(2)17-10-9-15(3)11-18(17)23-19(26)13-22-24(25(23)28)20(27)12-21(29-22)16-7-5-4-6-8-16/h4-8,11,13-14,17-18,21,26,28H,9-10,12H2,1-3H3

InChIKey

KTVKIASZLSYKIA-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-6-(3-methyl-6-propan-2-ylcyclohex-2-en-1-yl)-2-phenyl-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 12
Patents: 392.19876 Da
Monoisotopic Mass: 5.7
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]+	393.20604	196.9
[M+Na]+	415.18798	202.3
[M-H]-	391.19148	205.1
[M+NH4]+	410.23258	206.5
[M+K]+	431.16192	198.1
[M+H-H2O]+	375.19602	187.7
[M+HCOO]-	437.19696	208.5
[M+CH3COO]-	451.21261	222.8
[M+Na-2H]-	413.17343	194.4
[M]+	392.19821	194.2
[M]-	392.19931	194.2

Literature stripe

Patent stripe