CID 53463653

Ns00116859

Structural Information

Molecular Formula
C17H20N2O8
SMILES
CCC1(C(=O)N(C(=O)N1)C2C(C(C(C(O2)C(=O)O)O)O)O)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2O8/c1-2-17(8-6-4-3-5-7-8)15(25)19(16(26)18-17)13-11(22)9(20)10(21)12(27-13)14(23)24/h3-7,9-13,20-22H,2H2,1H3,(H,18,26)(H,23,24)
InChIKey
DODGRIDUNRFYLX-UHFFFAOYSA-N
Compound name
6-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.12198 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12926 185.9
[M+Na]+ 403.11120 193.0
[M+NH4]+ 398.15580 188.8
[M+K]+ 419.08514 192.8
[M-H]- 379.11470 185.3
[M+Na-2H]- 401.09665 186.1
[M]+ 380.12143 186.1
[M]- 380.12253 186.1
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.