CID 390520

Artocarpetin a

Structural Information

Molecular Formula

C₂₁H₂₀O₆

SMILES

CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)OC)C

InChI

InChI=1S/C21H20O6/c1-11(2)4-6-14-18(26-3)9-16(24)20-17(25)10-19(27-21(14)20)13-7-5-12(22)8-15(13)23/h4-5,7-10,22-24H,6H2,1-3H3

InChIKey

RZVNDYZVNDJBPR-UHFFFAOYSA-N

Compound name

2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 368.12598 Da
Monoisotopic Mass: 4.6
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]+	369.133256	185.8
[M+Na]+	391.115198	195.3
[M-H]-	367.118704	191.4
[M+NH4]+	386.159803	196.5
[M+K]+	407.089138	191.7
[M+H-H2O]+	351.123240	177.9
[M+HCOO]-	413.124181	202.3
[M+CH3COO]-	427.139831	214.5
[M+Na-2H]-	389.100646	186.8
[M]+	368.12543142	190.6
[M]-	368.12652858	190.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.