PubChemLite - Ethyl 2,3,4-tri-o-benzyl-1-thio-beta-l-fucopyranoside (C29H34O4S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C29H34O4S/c1-3-34-29-28(32-21-25-17-11-6-12-18-25)27(31-20-24-15-9-5-10-16-24)26(22(2)33-29)30-19-23-13-7-4-8-14-23/h4-18,22,26-29H,3,19-21H2,1-2H3/t22-,26+,27+,28-,29+/m0/s1

InChIKey

RZVKVTBAQRMTEH-DQPHOHOGSA-N

Compound name

(2R,3S,4R,5R,6S)-2-ethylsulfanyl-6-methyl-3,4,5-tris(phenylmethoxy)oxane

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]+	479.22505	218.5
[M+Na]+	501.20699	221.5
[M-H]-	477.21049	229.9
[M+NH4]+	496.25159	224.5
[M+K]+	517.18093	217.0
[M+H-H2O]+	461.21503	206.8
[M+HCOO]-	523.21597	231.2
[M+CH3COO]-	537.23162	235.5
[M+Na-2H]-	499.19244	216.2
[M]+	478.21722	222.6
[M]-	478.21832	222.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.22505

218.5

[M+Na]+

501.20699

221.5

[M-H]-

477.21049

229.9

[M+NH4]+

496.25159

224.5

[M+K]+

517.18093

217.0

[M+H-H2O]+

461.21503

206.8

[M+HCOO]-

523.21597

231.2

[M+CH3COO]-

537.23162

235.5

[M+Na-2H]-

499.19244

216.2

[M]+

478.21722

222.6

[M]-

478.21832

222.6

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

Ethyl 2,3,4-tri-o-benzyl-1-thio-beta-l-fucopyranoside

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe