CID 5281805

Pseudobaptigenin

Structural Information

Molecular Formula

C₁₆H₁₀O₅

SMILES

C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)O

InChI

InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2

InChIKey

KNJNBKINYHZUGC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 26
References: 413
Patents: 282.05283 Da
Monoisotopic Mass: 2.6
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]+	283.06011	157.9
[M+Na]+	305.04205	174.2
[M+NH4]+	300.08665	166.7
[M+K]+	321.01599	170.1
[M-H]-	281.04555	166.3
[M+Na-2H]-	303.02750	163.7
[M]+	282.05228	162.8
[M]-	282.05338	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe