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]+ 280.07503 161.9
[M+Na]+ 302.05697 171.7
[M-H]- 278.06047 166.4
[M+NH4]+ 297.10157 177.6
[M+K]+ 318.03091 167.0
[M+H-H2O]+ 262.06501 154.6
[M+HCOO]- 324.06595 178.6
[M+CH3COO]- 338.08160 199.7
[M+Na-2H]- 300.04242 159.7
[M]+ 279.06720 164.0
[M]- 279.06830 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.