CID 3058217

5,5-bis(3,4,5-trihydroxyphenyl)hydantoin

Structural Information

Molecular Formula
C15H12N2O8
SMILES
C1=C(C=C(C(=C1O)O)O)C2(C(=O)NC(=O)N2)C3=CC(=C(C(=C3)O)O)O
InChI
InChI=1S/C15H12N2O8/c18-7-1-5(2-8(19)11(7)22)15(13(24)16-14(25)17-15)6-3-9(20)12(23)10(21)4-6/h1-4,18-23H,(H2,16,17,24,25)
InChIKey
QBSIJZBHECIFOD-UHFFFAOYSA-N
Compound name
5,5-bis(3,4,5-trihydroxyphenyl)imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

348.05936 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.06664 176.1
[M+Na]+ 371.04858 184.8
[M-H]- 347.05208 175.2
[M+NH4]+ 366.09318 185.0
[M+K]+ 387.02252 179.2
[M+H-H2O]+ 331.05662 170.0
[M+HCOO]- 393.05756 186.1
[M+CH3COO]- 407.07321 197.1
[M+Na-2H]- 369.03403 174.6
[M]+ 348.05881 171.6
[M]- 348.05991 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe