CID 21572994

Pseudaminate

Structural Information

Molecular Formula
C13H22N2O8
SMILES
C[C@H]([C@H]([C@H]1[C@@H]([C@H](C[C@](O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O
InChI
InChI=1S/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8+,9-,10-,11+,13+/m1/s1
InChIKey
ZJOSXOOPEBJBMC-DAJNMGJPSA-N
Compound name
(2S,4S,5R,6S)-5-acetamido-6-[(1R,2R)-1-acetamido-2-hydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

226
Patents

334.1376 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.14488 173.9
[M+Na]+ 357.12682 175.6
[M+NH4]+ 352.17142 175.8
[M+K]+ 373.10076 176.7
[M-H]- 333.13032 170.2
[M+Na-2H]- 355.11227 170.9
[M]+ 334.13705 172.1
[M]- 334.13815 172.1
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

patents stripe