CID 90601

Brn 0718672

Structural Information

Molecular Formula
C21H16N2O5S
SMILES
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2S(=O)(=O)C3=CC=C(C=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O5S/c24-17-11-13-18(14-12-17)29(27,28)23-20(26)22-19(25)21(23,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,24H,(H,22,25,26)
InChIKey
FWQYPLYAWXMHTR-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)sulfonyl-5,5-diphenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.078 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.08528 195.2
[M+Na]+ 431.06722 203.7
[M-H]- 407.07072 203.6
[M+NH4]+ 426.11182 205.1
[M+K]+ 447.04116 197.1
[M+H-H2O]+ 391.07526 186.5
[M+HCOO]- 453.07620 207.4
[M+CH3COO]- 467.09185 204.1
[M+Na-2H]- 429.05267 196.6
[M]+ 408.07745 194.9
[M]- 408.07855 194.9
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.