CID 364380

Nsc630439

Structural Information

Molecular Formula

C₂₂H₂₀O₃

SMILES

CC1=C2CCC3(C2=CC=C1)C4=C(C(O3)O)C5=C(C=CC=C5OC)C=C4

InChI

InChI=1S/C22H20O3/c1-13-5-3-7-16-15(13)11-12-22(16)17-10-9-14-6-4-8-18(24-2)19(14)20(17)21(23)25-22/h3-10,21,23H,11-12H2,1-2H3

InChIKey

FFWJTWNAXNVOSC-UHFFFAOYSA-N

Compound name

9'-methoxy-7-methylspiro[1,2-dihydroindene-3,3'-1H-benzo[g][2]benzofuran]-1'-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 332.14124 Da
Monoisotopic Mass: 4.1
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]+	333.148516	178.4
[M+Na]+	355.130458	189.1
[M-H]-	331.133964	187.4
[M+NH4]+	350.175063	199.8
[M+K]+	371.104398	183.7
[M+H-H2O]+	315.138500	172.5
[M+HCOO]-	377.139441	195.9
[M+CH3COO]-	391.155091	190.6
[M+Na-2H]-	353.115906	181.2
[M]+	332.14069142	181.3
[M]-	332.14178858	181.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.