CID 454888

Ghl.pd_mitscher_leg0.633

Structural Information

Molecular Formula

C₂₃H₂₆O₅

SMILES

COC1=CC2=C(C=C1)C3C(CO2)C4=CC(=C(C=C4O3)OCC5CCCCC5)O

InChI

InChI=1S/C23H26O5/c1-25-15-7-8-16-20(9-15)27-13-18-17-10-19(24)22(11-21(17)28-23(16)18)26-12-14-5-3-2-4-6-14/h7-11,14,18,23-24H,2-6,12-13H2,1H3

InChIKey

BZFZBVCGXBWVOR-UHFFFAOYSA-N

Compound name

9-(cyclohexylmethoxy)-3-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 382.178 Da
Monoisotopic Mass: 5.0
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]+	383.185276	187.8
[M+Na]+	405.167218	192.9
[M-H]-	381.170724	196.0
[M+NH4]+	400.211823	200.6
[M+K]+	421.141158	190.6
[M+H-H2O]+	365.175260	179.8
[M+HCOO]-	427.176201	199.0
[M+CH3COO]-	441.191851	196.8
[M+Na-2H]-	403.152666	189.5
[M]+	382.17745142	188.0
[M]-	382.17854858	188.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.