CID 4962108

1-(2,6-diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CCC1=C(C(=CC=C1)CC)N2C(=O)CC(=O)NC2=S
InChI
InChI=1S/C14H16N2O2S/c1-3-9-6-5-7-10(4-2)13(9)16-12(18)8-11(17)15-14(16)19/h5-7H,3-4,8H2,1-2H3,(H,15,17,19)
InChIKey
XSUMZHIBQKJRJA-UHFFFAOYSA-N
Compound name
1-(2,6-diethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09326 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 165.1
[M+Na]+ 299.08248 177.7
[M+NH4]+ 294.12708 171.9
[M+K]+ 315.05642 169.0
[M-H]- 275.08598 167.1
[M+Na-2H]- 297.06793 169.4
[M]+ 276.09271 167.7
[M]- 276.09381 167.7
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.