CID 118796936

Alpha-l-colitosyl-(1->2)-beta-d-galactosyl-(1->3)-n-acetyl-d-glucosamine

Structural Information

Molecular Formula
C20H35NO14
SMILES
C[C@H]1[C@H](C[C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3[C@@H]([C@H](OC([C@@H]3NC(=O)C)O)CO)O)CO)O)O)O)O
InChI
InChI=1S/C20H35NO14/c1-6-8(25)3-9(26)19(31-6)35-17-15(29)13(27)10(4-22)33-20(17)34-16-12(21-7(2)24)18(30)32-11(5-23)14(16)28/h6,8-20,22-23,25-30H,3-5H2,1-2H3,(H,21,24)/t6-,8-,9-,10+,11+,12+,13-,14+,15-,16+,17+,18?,19-,20-/m0/s1
InChIKey
JSTYGXQNHFJXJZ-YUNPFAOVSA-N
Compound name
N-[(3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-3-[(2S,3S,5S,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.20575 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.21303 217.9
[M+Na]+ 536.19497 217.3
[M+NH4]+ 531.23957 216.9
[M+K]+ 552.16891 221.5
[M-H]- 512.19847 209.4
[M+Na-2H]- 534.18042 235.4
[M]+ 513.20520 214.8
[M]- 513.20630 214.8
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.