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 178.0
[M+Na]+ 367.09005 185.8
[M-H]- 343.09355 178.7
[M+NH4]+ 362.13465 188.3
[M+K]+ 383.06399 179.3
[M+H-H2O]+ 327.09809 170.9
[M+HCOO]- 389.09903 190.3
[M+CH3COO]- 403.11468 198.3
[M+Na-2H]- 365.07550 177.3
[M]+ 344.10028 173.8
[M]- 344.10138 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