CID 24772948

Violanone

Structural Information

Molecular Formula

C₁₇H₁₆O₆

SMILES

COC1=C(C(=C(C=C1)C2COC3=C(C2=O)C=CC(=C3)O)OC)O

InChI

InChI=1S/C17H16O6/c1-21-13-6-5-10(17(22-2)16(13)20)12-8-23-14-7-9(18)3-4-11(14)15(12)19/h3-7,12,18,20H,8H2,1-2H3

InChIKey

ILOKNKKFXJKHMB-UHFFFAOYSA-N

Compound name

7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 126
Patents: 316.0947 Da
Monoisotopic Mass: 2.3
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]+	317.10198	169.2
[M+Na]+	339.08392	178.1
[M-H]-	315.08742	175.7
[M+NH4]+	334.12852	182.4
[M+K]+	355.05786	176.2
[M+H-H2O]+	299.09196	161.6
[M+HCOO]-	361.09290	186.7
[M+CH3COO]-	375.10855	204.3
[M+Na-2H]-	337.06937	172.9
[M]+	316.09415	172.6
[M]-	316.09525	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe