CID 3033295

64038-24-0

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CCC1(C(=O)NC(=S)NC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O2S/c1-2-14(9-8-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18/h3-7H,2,8-9H2,1H3,(H2,15,16,17,18,19)
InChIKey
ADGPOOKVXFWMDP-UHFFFAOYSA-N
Compound name
5-ethyl-5-(2-phenylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.09326 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 164.1
[M+Na]+ 299.08248 175.6
[M+NH4]+ 294.12708 172.0
[M+K]+ 315.05642 165.2
[M-H]- 275.08598 165.4
[M+Na-2H]- 297.06793 170.1
[M]+ 276.09271 166.5
[M]- 276.09381 166.5
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.