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 184.8
[M+Na]+ 403.11120 190.5
[M-H]- 379.11470 186.6
[M+NH4]+ 398.15580 192.6
[M+K]+ 419.08514 187.8
[M+H-H2O]+ 363.11924 178.1
[M+HCOO]- 425.12018 192.7
[M+CH3COO]- 439.13583 208.8
[M+Na-2H]- 401.09665 181.3
[M]+ 380.12143 181.0
[M]- 380.12253 181.0
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.