CID 3076753

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

Structural Information

Molecular Formula
C12H13N3O3S
SMILES
COC1=CC=CC(=C1)N2C(=O)C(=O)N(C2=S)CCN
InChI
InChI=1S/C12H13N3O3S/c1-18-9-4-2-3-8(7-9)15-11(17)10(16)14(6-5-13)12(15)19/h2-4,7H,5-6,13H2,1H3
InChIKey
HGUVEVZEVAUPFF-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-3-(3-methoxyphenyl)-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06775 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.075026 161.9
[M+Na]+ 302.056968 171.7
[M-H]- 278.060474 166.4
[M+NH4]+ 297.101573 177.6
[M+K]+ 318.030908 167.0
[M+H-H2O]+ 262.065010 154.6
[M+HCOO]- 324.065951 178.6
[M+CH3COO]- 338.081601 199.7
[M+Na-2H]- 300.042416 159.7
[M]+ 279.06720142 164.0
[M]- 279.06829858 164.0
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.