CID 3035299

4,6(1h,5h)-pyrimidinedione, 5-butyl-5-(2-(dimethylamino)ethyl)dihydro-2-thioxo-, monohydrochloride

Structural Information

Molecular Formula
C12H21N3O2S
SMILES
CCCCC1(C(=O)NC(=S)NC1=O)CCN(C)C
InChI
InChI=1S/C12H21N3O2S/c1-4-5-6-12(7-8-15(2)3)9(16)13-11(18)14-10(12)17/h4-8H2,1-3H3,(H2,13,14,16,17,18)
InChIKey
UTTKJKUUYAXVCO-UHFFFAOYSA-N
Compound name
5-butyl-5-[2-(dimethylamino)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.13544 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14272 164.8
[M+Na]+ 294.12466 172.3
[M+NH4]+ 289.16926 171.3
[M+K]+ 310.09860 164.0
[M-H]- 270.12816 163.6
[M+Na-2H]- 292.11011 166.9
[M]+ 271.13489 165.6
[M]- 271.13599 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.