CID 3076755

4,5-imidazolidinedione, 1-(2-aminoethyl)-3-phenyl-2-thioxo-, monohydrochloride

Structural Information

Molecular Formula
C11H11N3O2S
SMILES
C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)CCN
InChI
InChI=1S/C11H11N3O2S/c12-6-7-13-9(15)10(16)14(11(13)17)8-4-2-1-3-5-8/h1-5H,6-7,12H2
InChIKey
OFKVUNDRTZOETN-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-3-phenyl-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0572 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06448 154.6
[M+Na]+ 272.04642 164.4
[M-H]- 248.04992 159.0
[M+NH4]+ 267.09102 171.4
[M+K]+ 288.02036 159.4
[M+H-H2O]+ 232.05446 147.4
[M+HCOO]- 294.05540 171.6
[M+CH3COO]- 308.07105 193.3
[M+Na-2H]- 270.03187 153.4
[M]+ 249.05665 154.6
[M]- 249.05775 154.6
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.