CID 454321

5,5di-4meobzsme hydantoin

Structural Information

Molecular Formula
C21H24N2O4S2
SMILES
COC1=CC=C(C=C1)CSCC2(C(=O)NC(=O)N2)CSCC3=CC=C(C=C3)OC
InChI
InChI=1S/C21H24N2O4S2/c1-26-17-7-3-15(4-8-17)11-28-13-21(19(24)22-20(25)23-21)14-29-12-16-5-9-18(27-2)10-6-16/h3-10H,11-14H2,1-2H3,(H2,22,23,24,25)
InChIKey
MDARUFYRRIQPHF-UHFFFAOYSA-N
Compound name
5,5-bis[(4-methoxyphenyl)methylsulfanylmethyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

432.11774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.12502 197.3
[M+Na]+ 455.10696 204.0
[M-H]- 431.11046 201.0
[M+NH4]+ 450.15156 207.5
[M+K]+ 471.08090 196.3
[M+H-H2O]+ 415.11500 189.9
[M+HCOO]- 477.11594 204.3
[M+CH3COO]- 491.13159 218.3
[M+Na-2H]- 453.09241 194.7
[M]+ 432.11719 201.2
[M]- 432.11829 201.2
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