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
2
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]+ 429.129256 196.9
[M+Na]+ 451.111198 201.9
[M-H]- 427.114704 201.9
[M+NH4]+ 446.155803 202.1
[M+K]+ 467.085138 198.5
[M+H-H2O]+ 411.119240 188.4
[M+HCOO]- 473.120181 204.8
[M+CH3COO]- 487.135831 217.3
[M+Na-2H]- 449.096646 193.4
[M]+ 428.12143142 192.0
[M]- 428.12252858 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.