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 150.9
[M+Na]+ 263.08247 159.5
[M-H]- 239.08597 150.4
[M+NH4]+ 258.12707 168.3
[M+K]+ 279.05641 154.7
[M+H-H2O]+ 223.09051 145.7
[M+HCOO]- 285.09145 162.2
[M+CH3COO]- 299.10710 190.0
[M+Na-2H]- 261.06792 150.5
[M]+ 240.09270 150.7
[M]- 240.09380 150.7
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

patents stripe