CID 385010

2,4,6-trioxohexahydro-5-pyrimidinyl diethyldithiocarbamate

Structural Information

Molecular Formula
C9H13N3O3S2
SMILES
CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O
InChI
InChI=1S/C9H13N3O3S2/c1-3-12(4-2)9(16)17-5-6(13)10-8(15)11-7(5)14/h5H,3-4H2,1-2H3,(H2,10,11,13,14,15)
InChIKey
ZMIXTWOFJGXDND-UHFFFAOYSA-N
Compound name
(2,4,6-trioxo-1,3-diazinan-5-yl) N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.03983 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04711 157.8
[M+Na]+ 298.02905 163.4
[M-H]- 274.03255 156.3
[M+NH4]+ 293.07365 170.8
[M+K]+ 314.00299 158.2
[M+H-H2O]+ 258.03709 151.2
[M+HCOO]- 320.03803 163.0
[M+CH3COO]- 334.05368 195.5
[M+Na-2H]- 296.01450 154.4
[M]+ 275.03928 155.9
[M]- 275.04038 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.