CID 493776

.beta.-d-lyxo-hexopyranoside, methyl 6-deoxy-6-[[(phenylmethoxy)carbonyl]amino]-3-o-(phenylmethyl)-

Structural Information

Molecular Formula
C22H27NO7
SMILES
CO[C@H]1[C@H]([C@H]([C@@H](C(O1)CNC(=O)OCC2=CC=CC=C2)O)OCC3=CC=CC=C3)O
InChI
InChI=1S/C22H27NO7/c1-27-21-19(25)20(28-13-15-8-4-2-5-9-15)18(24)17(30-21)12-23-22(26)29-14-16-10-6-3-7-11-16/h2-11,17-21,24-25H,12-14H2,1H3,(H,23,26)/t17?,18-,19+,20+,21-/m1/s1
InChIKey
FTEHSNJNOHRKJC-GELOOBLNSA-N
Compound name
benzyl N-[[(3R,4S,5S,6R)-3,5-dihydroxy-6-methoxy-4-phenylmethoxyoxan-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.17874 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.18602 198.0
[M+Na]+ 440.16796 200.2
[M-H]- 416.17146 204.7
[M+NH4]+ 435.21256 204.4
[M+K]+ 456.14190 198.9
[M+H-H2O]+ 400.17600 187.7
[M+HCOO]- 462.17694 214.1
[M+CH3COO]- 476.19259 222.4
[M+Na-2H]- 438.15341 198.2
[M]+ 417.17819 199.2
[M]- 417.17929 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.