CID 212658

Brn 0845741

Structural Information

Molecular Formula
C16H13ClN2O4
SMILES
C1=CC(=CC=C1CC2C(=O)N(C(=O)N2)C3=C(C=CC(=C3)Cl)O)O
InChI
InChI=1S/C16H13ClN2O4/c17-10-3-6-14(21)13(8-10)19-15(22)12(18-16(19)23)7-9-1-4-11(20)5-2-9/h1-6,8,12,20-21H,7H2,(H,18,23)
InChIKey
YHINMWDDTVACOY-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-hydroxyphenyl)-5-[(4-hydroxyphenyl)methyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0564 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.06368 173.9
[M+Na]+ 355.04562 183.7
[M-H]- 331.04912 178.1
[M+NH4]+ 350.09022 185.8
[M+K]+ 371.01956 176.3
[M+H-H2O]+ 315.05366 166.2
[M+HCOO]- 377.05460 186.1
[M+CH3COO]- 391.07025 200.6
[M+Na-2H]- 353.03107 172.7
[M]+ 332.05585 173.4
[M]- 332.05695 173.4
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

No patent data available for this compound.