PubChemLite - 7h-naphtho[2',3':5,6]pyrano[4,3-b]benzofuran-5,13-dione, 7a,12a-dihydro-10-methoxy-9-phenoxy- (C26H18O6)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C2C3COC4=C(C3OC2=C1)C(=O)C5=CC=CC=C5C4=O)OC6=CC=CC=C6

InChI

InChI=1S/C26H18O6/c1-29-20-12-19-17(11-21(20)31-14-7-3-2-4-8-14)18-13-30-26-22(25(18)32-19)23(27)15-9-5-6-10-16(15)24(26)28/h2-12,18,25H,13H2,1H3

InChIKey

RBJUGWUKFFOSOG-UHFFFAOYSA-N

Compound name

6-methoxy-7-phenoxy-3,12-dioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,15,17,19-heptaene-14,21-dione

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]+	427.11763	196.9
[M+Na]+	449.09957	205.9
[M-H]-	425.10307	208.5
[M+NH4]+	444.14417	209.2
[M+K]+	465.07351	203.2
[M+H-H2O]+	409.10761	187.4
[M+HCOO]-	471.10855	211.0
[M+CH3COO]-	485.12420	207.0
[M+Na-2H]-	447.08502	200.2
[M]+	426.10980	201.7
[M]-	426.11090	201.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.11763

196.9

[M+Na]+

449.09957

205.9

[M-H]-

425.10307

208.5

[M+NH4]+

444.14417

209.2

[M+K]+

465.07351

203.2

[M+H-H2O]+

409.10761

187.4

[M+HCOO]-

471.10855

211.0

[M+CH3COO]-

485.12420

207.0

[M+Na-2H]-

447.08502

200.2

[M]+

426.10980

201.7

[M]-

426.11090

201.7

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

7h-naphtho[2',3':5,6]pyrano[4,3-b]benzofuran-5,13-dione, 7a,12a-dihydro-10-methoxy-9-phenoxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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