CID 169502172

Enoxaparin-tridesulfate depolymerized 6

Structural Information

Molecular Formula
C14H21NO11
SMILES
CC(=O)N[C@@H]1[C@H](C([C@H](O[C@@H]1O)CO)O[C@H]2C([C@H](C=C(O2)C(=O)O)O)O)O
InChI
InChI=1S/C14H21NO11/c1-4(17)15-8-10(20)11(7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9?,10+,11?,13-,14-/m0/s1
InChIKey
URUDPLVSVSVLMS-VEHQRSFSSA-N
Compound name
(2R,4S)-2-[(2R,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.11145 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.11873 182.5
[M+Na]+ 402.10067 186.3
[M+NH4]+ 397.14527 182.5
[M+K]+ 418.07461 189.5
[M-H]- 378.10417 181.1
[M+Na-2H]- 400.08612 177.5
[M]+ 379.11090 181.5
[M]- 379.11200 181.5
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.