CID 3032289

Thionarcon

Structural Information

Molecular Formula
C11H18N2O2S2
SMILES
CCCCSCC1(C(=O)NC(=S)NC1=O)CC
InChI
InChI=1S/C11H18N2O2S2/c1-3-5-6-17-7-11(4-2)8(14)12-10(16)13-9(11)15/h3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
IZXGUXKTLNWAEY-UHFFFAOYSA-N
Compound name
5-(butylsulfanylmethyl)-5-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.08096 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08824 157.0
[M+Na]+ 297.07018 163.4
[M-H]- 273.07368 153.9
[M+NH4]+ 292.11478 171.9
[M+K]+ 313.04412 156.7
[M+H-H2O]+ 257.07822 151.7
[M+HCOO]- 319.07916 160.9
[M+CH3COO]- 333.09481 191.8
[M+Na-2H]- 295.05563 155.1
[M]+ 274.08041 155.9
[M]- 274.08151 155.9
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.