CID 3033350

66940-69-0

Structural Information

Molecular Formula
C12H16N2O2S
SMILES
CCCC1(C(=O)NC(=S)NC1=O)C2CCC=C2
InChI
InChI=1S/C12H16N2O2S/c1-2-7-12(8-5-3-4-6-8)9(15)13-11(17)14-10(12)16/h3,5,8H,2,4,6-7H2,1H3,(H2,13,14,15,16,17)
InChIKey
DFUBOMNQHZYIFQ-UHFFFAOYSA-N
Compound name
5-cyclopent-2-en-1-yl-5-propyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.09325 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10053 157.3
[M+Na]+ 275.08247 164.5
[M-H]- 251.08597 158.4
[M+NH4]+ 270.12707 174.7
[M+K]+ 291.05641 159.0
[M+H-H2O]+ 235.09051 151.5
[M+HCOO]- 297.09145 167.7
[M+CH3COO]- 311.10710 186.1
[M+Na-2H]- 273.06792 155.5
[M]+ 252.09270 152.9
[M]- 252.09380 152.9
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.