CID 3033351

66941-09-1

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CCCC(C)C1(C(=O)NC(=S)N(C1=O)C)C
InChI
InChI=1S/C11H18N2O2S/c1-5-6-7(2)11(3)8(14)12-10(16)13(4)9(11)15/h7H,5-6H2,1-4H3,(H,12,14,16)
InChIKey
FNQUBIJEFNWWMI-UHFFFAOYSA-N
Compound name
1,5-dimethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1089 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11618 158.1
[M+Na]+ 265.09812 167.6
[M+NH4]+ 260.14272 165.4
[M+K]+ 281.07206 159.1
[M-H]- 241.10162 157.0
[M+Na-2H]- 263.08357 160.4
[M]+ 242.10835 159.4
[M]- 242.10945 159.4
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.