CID 3035317

4,6(1h,5h)-pyrimidinedione, 5-(2-(diethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride

Structural Information

Molecular Formula
C16H21N3O2S
SMILES
CCN(CC)CCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C16H21N3O2S/c1-3-19(4-2)11-10-16(12-8-6-5-7-9-12)13(20)17-15(22)18-14(16)21/h5-9H,3-4,10-11H2,1-2H3,(H2,17,18,20,21,22)
InChIKey
MWACFARFTPPMDC-UHFFFAOYSA-N
Compound name
5-[2-(diethylamino)ethyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.13544 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14272 174.8
[M+Na]+ 342.12466 184.6
[M+NH4]+ 337.16926 182.0
[M+K]+ 358.09860 174.9
[M-H]- 318.12816 176.5
[M+Na-2H]- 340.11011 180.4
[M]+ 319.13489 176.9
[M]- 319.13599 176.9
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.

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No patent data available for this compound.