CID 3058208

5,5-bis(4-hydroxy-3-hydroxymethylphenyl)hydantoin

Structural Information

Molecular Formula
C17H16N2O6
SMILES
C1=CC(=C(C=C1C2(C(=O)NC(=O)N2)C3=CC(=C(C=C3)O)CO)CO)O
InChI
InChI=1S/C17H16N2O6/c20-7-9-5-11(1-3-13(9)22)17(15(24)18-16(25)19-17)12-2-4-14(23)10(6-12)8-21/h1-6,20-23H,7-8H2,(H2,18,19,24,25)
InChIKey
BDZAGKNTXFADLT-UHFFFAOYSA-N
Compound name
5,5-bis[4-hydroxy-3-(hydroxymethyl)phenyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.10083 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10811 179.6
[M+Na]+ 367.09005 189.7
[M+NH4]+ 362.13465 184.1
[M+K]+ 383.06399 186.6
[M-H]- 343.09355 179.3
[M+Na-2H]- 365.07550 183.8
[M]+ 344.10028 180.5
[M]- 344.10138 180.5
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