CID 88892

21413-28-5

Structural Information

Molecular Formula
C21H16N2O4S
SMILES
C1=CC=C(C=C1)C2(C(=O)NC(=O)N2S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O4S/c24-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)23(20(25)22-19)28(26,27)18-14-8-3-9-15-18/h1-15H,(H,22,24,25)
InChIKey
WMIAQXWVZFAYQL-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-5,5-diphenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

19
Patents

392.08307 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09035 192.6
[M+Na]+ 415.07229 201.2
[M-H]- 391.07579 202.1
[M+NH4]+ 410.11689 203.8
[M+K]+ 431.04623 194.5
[M+H-H2O]+ 375.08033 183.5
[M+HCOO]- 437.08127 206.3
[M+CH3COO]- 451.09692 202.1
[M+Na-2H]- 413.05774 194.5
[M]+ 392.08252 192.3
[M]- 392.08362 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe