CID 455904

Pyranocoumarin o-pyran deriv.

Structural Information

Molecular Formula

C₁₉H₂₂O₆

SMILES

CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4CCCCO4)C

InChI

InChI=1S/C19H22O6/c1-19(2)18(24-14-5-3-4-10-22-14)16(21)15-12(25-19)8-6-11-7-9-13(20)23-17(11)15/h6-9,14,16,18,21H,3-5,10H2,1-2H3

InChIKey

FOYNTDDSDCQRPF-UHFFFAOYSA-N

Compound name

10-hydroxy-8,8-dimethyl-9-(oxan-2-yloxy)-9,10-dihydropyrano[2,3-f]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 346.14163 Da
Monoisotopic Mass: 2.2
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]+	347.148906	178.7
[M+Na]+	369.130848	186.1
[M-H]-	345.134354	187.5
[M+NH4]+	364.175453	191.1
[M+K]+	385.104788	186.6
[M+H-H2O]+	329.138890	170.2
[M+HCOO]-	391.139831	190.3
[M+CH3COO]-	405.155481	189.1
[M+Na-2H]-	367.116296	184.6
[M]+	346.14108142	180.2
[M]-	346.14217858	180.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.