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 160.7
[M+Na]+ 287.08248 167.4
[M-H]- 263.08598 161.7
[M+NH4]+ 282.12708 177.5
[M+K]+ 303.05642 161.6
[M+H-H2O]+ 247.09052 155.0
[M+HCOO]- 309.09146 169.9
[M+CH3COO]- 323.10711 189.2
[M+Na-2H]- 285.06793 157.4
[M]+ 264.09271 155.4
[M]- 264.09381 155.4
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.