CID 3033572

73681-04-6

Structural Information

Molecular Formula
C11H18N2O2S
SMILES
CCCCCC1(C(=O)NC(=S)NC1=O)CC
InChI
InChI=1S/C11H18N2O2S/c1-3-5-6-7-11(4-2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
SVRNITUASJCBQJ-UHFFFAOYSA-N
Compound name
5-ethyl-5-pentyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.1089 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11618 153.9
[M+Na]+ 265.09812 160.8
[M-H]- 241.10162 151.5
[M+NH4]+ 260.14272 170.2
[M+K]+ 281.07206 155.7
[M+H-H2O]+ 225.10616 148.4
[M+HCOO]- 287.10710 163.5
[M+CH3COO]- 301.12275 187.1
[M+Na-2H]- 263.08357 153.6
[M]+ 242.10835 152.0
[M]- 242.10945 152.0
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