CID 3033365

66941-98-8

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CCC1(C(=O)NC(=S)N(C1=O)C)CC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O2S/c1-3-14(9-10-7-5-4-6-8-10)11(17)15-13(19)16(2)12(14)18/h4-8H,3,9H2,1-2H3,(H,15,17,19)
InChIKey
VPHWXWOPBMFLLL-UHFFFAOYSA-N
Compound name
5-benzyl-5-ethyl-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

276.09326 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 164.3
[M+Na]+ 299.08248 176.6
[M+NH4]+ 294.12708 172.5
[M+K]+ 315.05642 166.1
[M-H]- 275.08598 166.1
[M+Na-2H]- 297.06793 170.5
[M]+ 276.09271 167.0
[M]- 276.09381 167.0
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.