CID 3033348

66940-65-6

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CC(=C)CC1(C(=O)NC(=S)NC1=O)C2CCC=C2
InChI
InChI=1S/C13H16N2O2S/c1-8(2)7-13(9-5-3-4-6-9)10(16)14-12(18)15-11(13)17/h3,5,9H,1,4,6-7H2,2H3,(H2,14,15,16,17,18)
InChIKey
SVWLEQDYGMEJCN-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-5-(2-methylprop-2-enyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09326 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 163.1
[M+Na]+ 287.08248 171.3
[M+NH4]+ 282.12708 170.2
[M+K]+ 303.05642 164.4
[M-H]- 263.08598 162.7
[M+Na-2H]- 285.06793 165.9
[M]+ 264.09271 164.2
[M]- 264.09381 164.2
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.