PubChemLite - 7-benzyloxy-9-(4-benzyloxy-3-meo-ph)-6-meo-3a,4-2h-3h-naphtho(2,3-c)furan-1-one (C34H30O6)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C2C(=C1)CC3COC(=O)C3=C2C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)OCC6=CC=CC=C6

InChI

InChI=1S/C34H30O6/c1-36-29-16-24(13-14-28(29)38-19-22-9-5-3-6-10-22)32-27-18-31(39-20-23-11-7-4-8-12-23)30(37-2)17-25(27)15-26-21-40-34(35)33(26)32/h3-14,16-18,26H,15,19-21H2,1-2H3

InChIKey

LVUHYKBKCKUINJ-UHFFFAOYSA-N

Compound name

7-methoxy-4-(3-methoxy-4-phenylmethoxyphenyl)-6-phenylmethoxy-9,9a-dihydro-1H-benzo[f][2]benzofuran-3-one

Related CIDs

2D Structure

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]+	535.21148	232.8
[M+Na]+	557.19342	238.4
[M-H]-	533.19692	247.1
[M+NH4]+	552.23802	239.1
[M+K]+	573.16736	234.4
[M+H-H2O]+	517.20146	220.2
[M+HCOO]-	579.20240	249.2
[M+CH3COO]-	593.21805	240.1
[M+Na-2H]-	555.17887	230.9
[M]+	534.20365	238.4
[M]-	534.20475	238.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

535.21148

232.8

[M+Na]+

557.19342

238.4

[M-H]-

533.19692

247.1

[M+NH4]+

552.23802

239.1

[M+K]+

573.16736

234.4

[M+H-H2O]+

517.20146

220.2

[M+HCOO]-

579.20240

249.2

[M+CH3COO]-

593.21805

240.1

[M+Na-2H]-

555.17887

230.9

[M]+

534.20365

238.4

[M]-

534.20475

238.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

7-benzyloxy-9-(4-benzyloxy-3-meo-ph)-6-meo-3a,4-2h-3h-naphtho(2,3-c)furan-1-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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