CID 3076761

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

Structural Information

Molecular Formula
C16H21N3O2S
SMILES
CCN(CC)CCCN1C(=O)C(=O)N(C1=S)C2=CC=CC=C2
InChI
InChI=1S/C16H21N3O2S/c1-3-17(4-2)11-8-12-18-14(20)15(21)19(16(18)22)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
InChIKey
WRCCFPHHDUREPH-UHFFFAOYSA-N
Compound name
1-[3-(diethylamino)propyl]-3-phenyl-2-sulfanylideneimidazolidine-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.13544 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14272 177.4
[M+Na]+ 342.12466 187.5
[M+NH4]+ 337.16926 183.6
[M+K]+ 358.09860 180.9
[M-H]- 318.12816 179.5
[M+Na-2H]- 340.11011 181.0
[M]+ 319.13489 179.6
[M]- 319.13599 179.6
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.