CID 154699788

Ns00117521

Structural Information

Molecular Formula
C21H20N2O8
SMILES
C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)C3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C4=CC=CC=C4
InChI
InChI=1S/C21H20N2O8/c24-13-14(25)16(18(27)28)31-17(15(13)26)23-19(29)21(22-20(23)30,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-17,24-26H,(H,22,30)(H,27,28)/t13-,14-,15+,16-,17?/m0/s1
InChIKey
MFWASOUYXGTTLJ-CLYSKQOPSA-N
Compound name
(2S,3S,4S,5R)-6-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.12198 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.12926 196.9
[M+Na]+ 451.11120 201.9
[M-H]- 427.11470 201.9
[M+NH4]+ 446.15580 202.1
[M+K]+ 467.08514 198.5
[M+H-H2O]+ 411.11924 188.4
[M+HCOO]- 473.12018 204.8
[M+CH3COO]- 487.13583 217.3
[M+Na-2H]- 449.09665 193.4
[M]+ 428.12143 192.0
[M]- 428.12253 192.0
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.