CID 707766

7-methyl-10-(4-methylphenyl)-1,2,3,4-tetrahydro-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula

C₂₃H₂₀O₃

SMILES

CC1=CC=C(C=C1)C2=COC3=C(C4=C(C=C23)C5=C(CCCC5)C(=O)O4)C

InChI

InChI=1S/C23H20O3/c1-13-7-9-15(10-8-13)20-12-25-21-14(2)22-18(11-19(20)21)16-5-3-4-6-17(16)23(24)26-22/h7-12H,3-6H2,1-2H3

InChIKey

OPQRHKHFEPXXNO-UHFFFAOYSA-N

Compound name

7-methyl-10-(4-methylphenyl)-1,2,3,4-tetrahydro-[1]benzofuro[6,5-c]isochromen-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 344.14124 Da
Monoisotopic Mass: 5.6
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]+	345.148516	180.8
[M+Na]+	367.130458	192.2
[M-H]-	343.133964	192.5
[M+NH4]+	362.175063	196.8
[M+K]+	383.104398	188.1
[M+H-H2O]+	327.138500	172.9
[M+HCOO]-	389.139441	199.1
[M+CH3COO]-	403.155091	193.3
[M+Na-2H]-	365.115906	185.3
[M]+	344.14069142	185.3
[M]-	344.14178858	185.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.