PubChemLite - .alpha.-l-erythro-hexopyranoside, methyl 3-o-(phenylmethyl)-4,6-o-(phenylmethylene)- (C21H24O6)

Structural Information

Molecular Formula

SMILES

CO[C@H]1[C@H]([C@H](C2C(O1)CO[C@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4)O

InChI

InChI=1S/C21H24O6/c1-23-21-17(22)19(24-12-14-8-4-2-5-9-14)18-16(26-21)13-25-20(27-18)15-10-6-3-7-11-15/h2-11,16-22H,12-13H2,1H3/t16?,17-,18?,19+,20+,21+/m0/s1

InChIKey

QRMYFVCKXAQEDN-CGTKZIFGSA-N

Compound name

(2R,6R,7S,8R)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

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]+	373.16458	187.7
[M+Na]+	395.14652	191.8
[M-H]-	371.15002	197.8
[M+NH4]+	390.19112	195.3
[M+K]+	411.12046	192.3
[M+H-H2O]+	355.15456	177.9
[M+HCOO]-	417.15550	200.2
[M+CH3COO]-	431.17115	196.7
[M+Na-2H]-	393.13197	191.3
[M]+	372.15675	188.2
[M]-	372.15785	188.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

373.16458

187.7

[M+Na]+

395.14652

191.8

[M-H]-

371.15002

197.8

[M+NH4]+

390.19112

195.3

[M+K]+

411.12046

192.3

[M+H-H2O]+

355.15456

177.9

[M+HCOO]-

417.15550

200.2

[M+CH3COO]-

431.17115

196.7

[M+Na-2H]-

393.13197

191.3

[M]+

372.15675

188.2

[M]-

372.15785

188.2

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

.alpha.-l-erythro-hexopyranoside, methyl 3-o-(phenylmethyl)-4,6-o-(phenylmethylene)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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