CID 3033349

66940-67-8

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
CC(=C)C1(C(=O)NC(=S)NC1=O)C2CCC=C2
InChI
InChI=1S/C12H14N2O2S/c1-7(2)12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h3,5,8H,1,4,6H2,2H3,(H2,13,14,15,16,17)
InChIKey
NYZIEICDGYQBIZ-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0776 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.084876 156.6
[M+Na]+ 273.066818 163.7
[M-H]- 249.070324 157.7
[M+NH4]+ 268.111423 173.9
[M+K]+ 289.040758 158.1
[M+H-H2O]+ 233.074860 151.1
[M+HCOO]- 295.075801 166.1
[M+CH3COO]- 309.091451 186.2
[M+Na-2H]- 271.052266 153.7
[M]+ 250.07705142 150.9
[M]- 250.07814858 150.9
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.