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 151.7
[M+Na]+ 265.09812 159.6
[M-H]- 241.10162 151.2
[M+NH4]+ 260.14272 168.9
[M+K]+ 281.07206 156.0
[M+H-H2O]+ 225.10616 146.5
[M+HCOO]- 287.10710 161.7
[M+CH3COO]- 301.12275 191.7
[M+Na-2H]- 263.08357 150.2
[M]+ 242.10835 151.5
[M]- 242.10945 151.5
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.