CID 15301053

5-hydroxypseudobaptigenin

Structural Information

Molecular Formula

C₁₆H₁₀O₆

SMILES

C1OC2=C(O1)C=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)O

InChI

InChI=1S/C16H10O6/c17-9-4-11(18)15-14(5-9)20-6-10(16(15)19)8-1-2-12-13(3-8)22-7-21-12/h1-6,17-18H,7H2

InChIKey

BNFXYMBRFDJYCH-UHFFFAOYSA-N

Compound name

3-(1,3-benzodioxol-5-yl)-5,7-dihydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 298.04773 Da
Monoisotopic Mass: 2.8
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]+	299.055006	161.3
[M+Na]+	321.036948	172.5
[M-H]-	297.040454	170.8
[M+NH4]+	316.081553	175.3
[M+K]+	337.010888	171.8
[M+H-H2O]+	281.044990	155.4
[M+HCOO]-	343.045931	179.2
[M+CH3COO]-	357.061581	174.5
[M+Na-2H]-	319.022396	168.4
[M]+	298.04718142	166.4
[M]-	298.04827858	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe