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]+ 345.108106 178.0
[M+Na]+ 367.090048 185.8
[M-H]- 343.093554 178.7
[M+NH4]+ 362.134653 188.3
[M+K]+ 383.063988 179.3
[M+H-H2O]+ 327.098090 170.9
[M+HCOO]- 389.099031 190.3
[M+CH3COO]- 403.114681 198.3
[M+Na-2H]- 365.075496 177.3
[M]+ 344.10028142 173.8
[M]- 344.10137858 173.8
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