CID 154699830

Ns00117560

Structural Information

Molecular Formula
C15H20N2O8
SMILES
CCOC1=CC=C(C=C1)NC(=O)NC2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI
InChI=1S/C15H20N2O8/c1-2-24-8-5-3-7(4-6-8)16-15(23)17-13-11(20)9(18)10(19)12(25-13)14(21)22/h3-6,9-13,18-20H,2H2,1H3,(H,21,22)(H2,16,17,23)/t9-,10-,11+,12-,13?/m0/s1
InChIKey
NXRTYUWUBFLGLO-GCFWVWJCSA-N
Compound name
(2S,3S,4S,5R)-6-[(4-ethoxyphenyl)carbamoylamino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12198 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12926 180.2
[M+Na]+ 379.11120 185.9
[M+NH4]+ 374.15580 182.3
[M+K]+ 395.08514 185.9
[M-H]- 355.11470 180.6
[M+Na-2H]- 377.09665 179.7
[M]+ 356.12143 180.2
[M]- 356.12253 180.2
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.