CID 154700008

Ns00117723

Structural Information

Molecular Formula
C17H20N2O9
SMILES
CCC1(C(=O)N(C(=O)N1)C2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C17H20N2O9/c1-2-17(7-3-5-8(20)6-4-7)15(26)19(16(27)18-17)13-11(23)9(21)10(22)12(28-13)14(24)25/h3-6,9-13,20-23H,2H2,1H3,(H,18,27)(H,24,25)/t9-,10-,11+,12-,13?,17?/m0/s1
InChIKey
UXNQYGATIZUCQK-NSOBYCPISA-N
Compound name
(2S,3S,4S,5R)-6-[4-ethyl-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.11688 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.12416 188.6
[M+Na]+ 419.10610 195.1
[M+NH4]+ 414.15070 190.6
[M+K]+ 435.08004 196.0
[M-H]- 395.10960 187.2
[M+Na-2H]- 417.09155 187.7
[M]+ 396.11633 188.4
[M]- 396.11743 188.4
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.