CID 90738

Hydantoin, 5,5'-(thiodimethylene)bis(3-phenyl-

Structural Information

Molecular Formula
C20H18N4O4S
SMILES
C1=CC=C(C=C1)C2C(=O)N(C(=O)N2)CSCC3C(=O)N(C(=O)N3)C4=CC=CC=C4
InChI
InChI=1S/C20H18N4O4S/c25-17-15(21-20(28)24(17)14-9-5-2-6-10-14)11-29-12-23-18(26)16(22-19(23)27)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,21,28)(H,22,27)
InChIKey
KSPXTLGDCLQQSN-UHFFFAOYSA-N
Compound name
5-[(2,5-dioxo-4-phenylimidazolidin-1-yl)methylsulfanylmethyl]-3-phenylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1049 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.11218 197.1
[M+Na]+ 433.09412 204.9
[M-H]- 409.09762 203.2
[M+NH4]+ 428.13872 204.8
[M+K]+ 449.06806 197.3
[M+H-H2O]+ 393.10216 188.3
[M+HCOO]- 455.10310 206.7
[M+CH3COO]- 469.11875 204.8
[M+Na-2H]- 431.07957 189.8
[M]+ 410.10435 195.5
[M]- 410.10545 195.5
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.