CID 454333

5,5di-4bzsch2 hydantoin

Structural Information

Molecular Formula
C19H22N4O2S2
SMILES
C1=CC(=CC=C1CSCC2(C(=O)NC(=O)N2)CSCC3=CC=C(C=C3)N)N
InChI
InChI=1S/C19H22N4O2S2/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,9-12,20-21H2,(H2,22,23,24,25)
InChIKey
PVYKRUCDWPLXDD-UHFFFAOYSA-N
Compound name
5,5-bis[(4-aminophenyl)methylsulfanylmethyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.1184 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12568 187.2
[M+Na]+ 425.10762 193.6
[M-H]- 401.11112 189.9
[M+NH4]+ 420.15222 197.5
[M+K]+ 441.08156 184.0
[M+H-H2O]+ 385.11566 179.9
[M+HCOO]- 447.11660 195.0
[M+CH3COO]- 461.13225 194.3
[M+Na-2H]- 423.09307 185.4
[M]+ 402.11785 184.6
[M]- 402.11895 184.6
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

No patent data available for this compound.