CID 3033358

66941-61-5

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CCC1(C(=O)NC(=S)N(C1=O)CC=C)CC
InChI
InChI=1S/C11H16N2O2S/c1-4-7-13-9(15)11(5-2,6-3)8(14)12-10(13)16/h4H,1,5-7H2,2-3H3,(H,12,14,16)
InChIKey
HJKKBKYNRQTIST-UHFFFAOYSA-N
Compound name
5,5-diethyl-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.09325 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 157.9
[M+Na]+ 263.08247 167.8
[M+NH4]+ 258.12707 165.0
[M+K]+ 279.05641 158.3
[M-H]- 239.08597 156.7
[M+Na-2H]- 261.06792 160.3
[M]+ 240.09270 159.2
[M]- 240.09380 159.2
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

patents stripe