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
2
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 182.0
[M+Na]+ 402.10067 184.6
[M-H]- 378.10417 181.9
[M+NH4]+ 397.14527 186.5
[M+K]+ 418.07461 186.5
[M+H-H2O]+ 362.10871 174.7
[M+HCOO]- 424.10965 189.3
[M+CH3COO]- 438.12530 212.5
[M+Na-2H]- 400.08612 178.9
[M]+ 379.11090 180.1
[M]- 379.11200 180.1
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.