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]+ 250.064476 154.6
[M+Na]+ 272.046418 164.4
[M-H]- 248.049924 159.0
[M+NH4]+ 267.091023 171.4
[M+K]+ 288.020358 159.4
[M+H-H2O]+ 232.054460 147.4
[M+HCOO]- 294.055401 171.6
[M+CH3COO]- 308.071051 193.3
[M+Na-2H]- 270.031866 153.4
[M]+ 249.05665142 154.6
[M]- 249.05774858 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.