CID 5475053

Brn 0209368

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CC/C=C(\C)/C1(C(=O)NC(=S)NC1=O)CC
InChI
InChI=1S/C11H16N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h6H,4-5H2,1-3H3,(H2,12,13,14,15,16)/b7-6+
InChIKey
VFWWVUSKBIDTAN-VOTSOKGWSA-N
Compound name
5-ethyl-5-[(E)-pent-2-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

240.09325 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 152.9
[M+Na]+ 263.08247 159.9
[M-H]- 239.08597 150.7
[M+NH4]+ 258.12707 169.2
[M+K]+ 279.05641 154.7
[M+H-H2O]+ 223.09051 147.8
[M+HCOO]- 285.09145 161.7
[M+CH3COO]- 299.10710 186.5
[M+Na-2H]- 261.06792 151.5
[M]+ 240.09270 149.7
[M]- 240.09380 149.7
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.