CID 3002368

1-acetyl-2-thio-5-ethylthio methyl hydantoin

Structural Information

Molecular Formula
C9H12N2O2S2
SMILES
CCC(=S)CC1C(=O)NC(=S)N1C(=O)C
InChI
InChI=1S/C9H12N2O2S2/c1-3-6(14)4-7-8(13)10-9(15)11(7)5(2)12/h7H,3-4H2,1-2H3,(H,10,13,15)
InChIKey
BAXFVKXEYHALQZ-UHFFFAOYSA-N
Compound name
1-acetyl-2-sulfanylidene-5-(2-sulfanylidenebutyl)imidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.03403 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.04131 152.4
[M+Na]+ 267.02325 160.6
[M-H]- 243.02675 152.0
[M+NH4]+ 262.06785 169.3
[M+K]+ 282.99719 155.6
[M+H-H2O]+ 227.03129 147.1
[M+HCOO]- 289.03223 158.8
[M+CH3COO]- 303.04788 188.6
[M+Na-2H]- 265.00870 146.4
[M]+ 244.03348 152.5
[M]- 244.03458 152.5
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.