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
2
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]+ 381.129256 184.8
[M+Na]+ 403.111198 190.5
[M-H]- 379.114704 186.6
[M+NH4]+ 398.155803 192.6
[M+K]+ 419.085138 187.8
[M+H-H2O]+ 363.119240 178.1
[M+HCOO]- 425.120181 192.7
[M+CH3COO]- 439.135831 208.8
[M+Na-2H]- 401.096646 181.3
[M]+ 380.12143142 181.0
[M]- 380.12252858 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.