CID 454320

5,5di-4brbzsme hydantoin

Structural Information

Molecular Formula
C19H18Br2N2O2S2
SMILES
C1=CC(=CC=C1CSCC2(C(=O)NC(=O)N2)CSCC3=CC=C(C=C3)Br)Br
InChI
InChI=1S/C19H18Br2N2O2S2/c20-15-5-1-13(2-6-15)9-26-11-19(17(24)22-18(25)23-19)12-27-10-14-3-7-16(21)8-4-14/h1-8H,9-12H2,(H2,22,23,24,25)
InChIKey
QFZJFKJFEKSJPP-UHFFFAOYSA-N
Compound name
5,5-bis[(4-bromophenyl)methylsulfanylmethyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

527.91766 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.92494 160.4
[M+Na]+ 550.90688 171.3
[M-H]- 526.91038 167.9
[M+NH4]+ 545.95148 173.7
[M+K]+ 566.88082 153.0
[M+H-H2O]+ 510.91492 170.2
[M+HCOO]- 572.91586 165.0
[M+CH3COO]- 586.93151 171.9
[M+Na-2H]- 548.89233 163.7
[M]+ 527.91711 195.5
[M]- 527.91821 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

literature stripe

Patent stripe

patents stripe