PubChemLite - 2,3,4,6-tetra-o-benzoyl-d-mannopyranose (C34H28O10)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@@H](C(O2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H28O10/c35-30(22-13-5-1-6-14-22)40-21-26-27(42-31(36)23-15-7-2-8-16-23)28(43-32(37)24-17-9-3-10-18-24)29(34(39)41-26)44-33(38)25-19-11-4-12-20-25/h1-20,26-29,34,39H,21H2/t26-,27-,28+,29+,34?/m1/s1

InChIKey

FCDYAJBVISGNLC-FUDYUEBSSA-N

Compound name

[(2R,3R,4S,5S)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate

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]+	597.17558	237.3
[M+Na]+	619.15752	236.1
[M-H]-	595.16102	249.9
[M+NH4]+	614.20212	234.6
[M+K]+	635.13146	236.9
[M+H-H2O]+	579.16556	223.1
[M+HCOO]-	641.16650	249.3
[M+CH3COO]-	655.18215	253.2
[M+Na-2H]-	617.14297	233.3
[M]+	596.16775	238.7
[M]-	596.16885	238.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

597.17558

237.3

[M+Na]+

619.15752

236.1

[M-H]-

595.16102

249.9

[M+NH4]+

614.20212

234.6

[M+K]+

635.13146

236.9

[M+H-H2O]+

579.16556

223.1

[M+HCOO]-

641.16650

249.3

[M+CH3COO]-

655.18215

253.2

[M+Na-2H]-

617.14297

233.3

[M]+

596.16775

238.7

[M]-

596.16885

238.7

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

2,3,4,6-tetra-o-benzoyl-d-mannopyranose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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