CID 3033435

67051-59-6

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CCCC1(C(=O)NC(=S)NC1=O)C(C)C=C
InChI
InChI=1S/C11H16N2O2S/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15/h5,7H,2,4,6H2,1,3H3,(H2,12,13,14,15,16)
InChIKey
HJZVSYSRQBYTMU-UHFFFAOYSA-N
Compound name
5-but-3-en-2-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

240.09325 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 157.6
[M+Na]+ 263.08247 166.2
[M+NH4]+ 258.12707 164.2
[M+K]+ 279.05641 157.8
[M-H]- 239.08597 155.6
[M+Na-2H]- 261.06792 159.4
[M]+ 240.09270 158.4
[M]- 240.09380 158.4
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.