CID 15233562

Glabrocoumarone b

Structural Information

Molecular Formula

C₁₉H₁₆O₄

SMILES

CC1(C=CC2=C(O1)C=CC(=C2O)C3=CC4=C(O3)C=C(C=C4)O)C

InChI

InChI=1S/C19H16O4/c1-19(2)8-7-14-15(23-19)6-5-13(18(14)21)17-9-11-3-4-12(20)10-16(11)22-17/h3-10,20-21H,1-2H3

InChIKey

AOVQEAUIBICOLQ-UHFFFAOYSA-N

Compound name

6-(6-hydroxy-1-benzofuran-2-yl)-2,2-dimethylchromen-5-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 2
Patents: 308.10486 Da
Monoisotopic Mass: 4.2
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]+	309.112136	169.4
[M+Na]+	331.094078	181.4
[M-H]-	307.097584	178.5
[M+NH4]+	326.138683	186.8
[M+K]+	347.068018	178.3
[M+H-H2O]+	291.102120	163.1
[M+HCOO]-	353.103061	188.2
[M+CH3COO]-	367.118711	182.5
[M+Na-2H]-	329.079526	176.1
[M]+	308.10431142	174.4
[M]-	308.10540858	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe