CID 545007

Brn 5956308

Structural Information

Molecular Formula
C10H16N2O3S
SMILES
CCC1(C(=O)NC(=O)N(C1=O)CSC)CC
InChI
InChI=1S/C10H16N2O3S/c1-4-10(5-2)7(13)11-9(15)12(6-16-3)8(10)14/h4-6H2,1-3H3,(H,11,13,15)
InChIKey
QVXZMYYMGSYWEH-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-(methylsulfanylmethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08817 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09545 151.0
[M+Na]+ 267.07739 159.5
[M-H]- 243.08089 150.6
[M+NH4]+ 262.12199 168.2
[M+K]+ 283.05133 156.1
[M+H-H2O]+ 227.08543 145.7
[M+HCOO]- 289.08637 162.7
[M+CH3COO]- 303.10202 189.9
[M+Na-2H]- 265.06284 151.3
[M]+ 244.08762 152.6
[M]- 244.08872 152.6
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.