CID 493774

.beta.-d-mannopyranoside, methyl 6-deoxy-4-o-(4-methylphenyl)-6-[[(phenylmethoxy)carbonyl]amino]-3-o-(phenylmethyl)-

Structural Information

Molecular Formula
C29H33NO7
SMILES
CC1=CC=C(C=C1)O[C@@H]2[C@H](O[C@H]([C@H]([C@H]2OCC3=CC=CC=C3)O)OC)CNC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C29H33NO7/c1-20-13-15-23(16-14-20)36-26-24(17-30-29(32)35-19-22-11-7-4-8-12-22)37-28(33-2)25(31)27(26)34-18-21-9-5-3-6-10-21/h3-16,24-28,31H,17-19H2,1-2H3,(H,30,32)/t24-,25+,26-,27-,28-/m1/s1
InChIKey
WSMGPJXUSNEOAE-CRWBFSFISA-N
Compound name
benzyl N-[[(2R,3R,4R,5S,6R)-5-hydroxy-6-methoxy-3-(4-methylphenoxy)-4-phenylmethoxyoxan-2-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

507.2257 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.23298 223.7
[M+Na]+ 530.21492 225.1
[M-H]- 506.21842 234.2
[M+NH4]+ 525.25952 226.4
[M+K]+ 546.18886 223.4
[M+H-H2O]+ 490.22296 210.9
[M+HCOO]- 552.22390 239.8
[M+CH3COO]- 566.23955 242.5
[M+Na-2H]- 528.20037 222.2
[M]+ 507.22515 226.4
[M]- 507.22625 226.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.