CID 3076759

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

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CCN(CC)CCN1C(=O)C(=O)N(C1=S)C2=CC=CC=C2
InChI
InChI=1S/C15H19N3O2S/c1-3-16(4-2)10-11-17-13(19)14(20)18(15(17)21)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
ZOJCPAMJOMANFO-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-3-phenyl-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1198 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 171.3
[M+Na]+ 328.10902 179.3
[M-H]- 304.11252 177.0
[M+NH4]+ 323.15362 186.7
[M+K]+ 344.08296 175.2
[M+H-H2O]+ 288.11706 163.1
[M+HCOO]- 350.11800 188.0
[M+CH3COO]- 364.13365 209.1
[M+Na-2H]- 326.09447 168.5
[M]+ 305.11925 174.9
[M]- 305.12035 174.9
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.