CID 118796936

Col(a1-2)gal(b1-3)glcnac

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 221.2
[M+Na]+ 536.19497 220.1
[M-H]- 512.19847 213.6
[M+NH4]+ 531.23957 220.2
[M+K]+ 552.16891 220.7
[M+H-H2O]+ 496.20301 213.7
[M+HCOO]- 558.20395 222.4
[M+CH3COO]- 572.21960 241.1
[M+Na-2H]- 534.18042 246.7
[M]+ 513.20520 221.0
[M]- 513.20630 221.0
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.