PubChemLite - Lmpk12110185 (C26H26O8)

Structural Information

Molecular Formula

SMILES

CC(=O)OC([C@@H]1COC2=CC(=C3C(=O)C=C(OC3=C12)C4=CC=CC=C4)OC)C(C)(C)OC(=O)C

InChI

InChI=1S/C26H26O8/c1-14(27)32-25(26(3,4)34-15(2)28)17-13-31-21-12-20(30-5)23-18(29)11-19(33-24(23)22(17)21)16-9-7-6-8-10-16/h6-12,17,25H,13H2,1-5H3/t17-,25?/m1/s1

InChIKey

IOELSRBWPWTRTK-SMFUYQKNSA-N

Compound name

[2-acetyloxy-1-[(9S)-5-methoxy-4-oxo-2-phenyl-8,9-dihydrofuro[2,3-h]chromen-9-yl]-2-methylpropyl] acetate

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]+	467.17006	208.9
[M+Na]+	489.15200	215.2
[M-H]-	465.15550	218.9
[M+NH4]+	484.19660	217.8
[M+K]+	505.12594	216.5
[M+H-H2O]+	449.16004	201.6
[M+HCOO]-	511.16098	223.1
[M+CH3COO]-	525.17663	236.8
[M+Na-2H]-	487.13745	209.7
[M]+	466.16223	218.8
[M]-	466.16333	218.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.17006

208.9

[M+Na]+

489.15200

215.2

[M-H]-

465.15550

218.9

[M+NH4]+

484.19660

217.8

[M+K]+

505.12594

216.5

[M+H-H2O]+

449.16004

201.6

[M+HCOO]-

511.16098

223.1

[M+CH3COO]-

525.17663

236.8

[M+Na-2H]-

487.13745

209.7

[M]+

466.16223

218.8

[M]-

466.16333

218.8

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

Lmpk12110185

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe