PubChemLite - 53008-65-4 (C28H32O6)

Structural Information

Molecular Formula

SMILES

CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H32O6/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-29H,17-20H2,1H3/t24-,25-,26+,27-,28+/m1/s1

InChIKey

MOKYEUQDXDKNDX-DFLSAPQXSA-N

Compound name

[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol

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]+	465.22716	214.1
[M+Na]+	487.20910	216.2
[M-H]-	463.21260	224.3
[M+NH4]+	482.25370	218.9
[M+K]+	503.18304	213.5
[M+H-H2O]+	447.21714	201.6
[M+HCOO]-	509.21808	230.2
[M+CH3COO]-	523.23373	231.5
[M+Na-2H]-	485.19455	213.9
[M]+	464.21933	216.6
[M]-	464.22043	216.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.22716

214.1

[M+Na]+

487.20910

216.2

[M-H]-

463.21260

224.3

[M+NH4]+

482.25370

218.9

[M+K]+

503.18304

213.5

[M+H-H2O]+

447.21714

201.6

[M+HCOO]-

509.21808

230.2

[M+CH3COO]-

523.23373

231.5

[M+Na-2H]-

485.19455

213.9

[M]+

464.21933

216.6

[M]-

464.22043

216.6

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

53008-65-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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