CID 3033372

Brn 0219337

Structural Information

Molecular Formula
C9H14N2O2S2
SMILES
CCC1(C(=O)NC(=S)NC1=O)CSCC
InChI
InChI=1S/C9H14N2O2S2/c1-3-9(5-15-4-2)6(12)10-8(14)11-7(9)13/h3-5H2,1-2H3,(H2,10,11,12,13,14)
InChIKey
JDNIXHHUVIZBHK-UHFFFAOYSA-N
Compound name
5-ethyl-5-(ethylsulfanylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.04967 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.05695 149.2
[M+Na]+ 269.03889 156.5
[M-H]- 245.04239 146.5
[M+NH4]+ 264.08349 165.3
[M+K]+ 285.01283 150.3
[M+H-H2O]+ 229.04693 144.3
[M+HCOO]- 291.04787 153.8
[M+CH3COO]- 305.06352 185.9
[M+Na-2H]- 267.02434 148.2
[M]+ 246.04912 147.4
[M]- 246.05022 147.4
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.