CID 3083788

Sideroxylin

Structural Information

Molecular Formula

C₁₈H₁₆O₅

SMILES

CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)O)O

InChI

InChI=1S/C18H16O5/c1-9-16(21)15-13(20)8-14(11-4-6-12(19)7-5-11)23-18(15)10(2)17(9)22-3/h4-8,19,21H,1-3H3

InChIKey

QJSQOGJCHBXLAH-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6,8-dimethylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 15
Patents: 312.09976 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]+	313.107036	169.7
[M+Na]+	335.088978	181.3
[M-H]-	311.092484	177.3
[M+NH4]+	330.133583	183.8
[M+K]+	351.062918	178.3
[M+H-H2O]+	295.097020	162.2
[M+HCOO]-	357.097961	189.5
[M+CH3COO]-	371.113611	205.7
[M+Na-2H]-	333.074426	173.8
[M]+	312.09921142	175.3
[M]-	312.10030858	175.3

Literature stripe

literature stripe

Patent stripe

patents stripe