CID 3035095

Sodium spiro(2,5-diethylcyclopentane 2'-thiobarbiturate)

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CCC1CCC(C12C(=O)NC(=S)NC2=O)CC
InChI
InChI=1S/C12H18N2O2S/c1-3-7-5-6-8(4-2)12(7)9(15)13-11(17)14-10(12)16/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16,17)
InChIKey
BYXPKMLEVPOTAE-UHFFFAOYSA-N
Compound name
1,4-diethyl-8-sulfanylidene-7,9-diazaspiro[4.5]decane-6,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1089 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 158.0
[M+Na]+ 277.09812 165.7
[M-H]- 253.10162 158.1
[M+NH4]+ 272.14272 176.2
[M+K]+ 293.07206 160.2
[M+H-H2O]+ 237.10616 152.9
[M+HCOO]- 299.10710 166.8
[M+CH3COO]- 313.12275 188.0
[M+Na-2H]- 275.08357 155.3
[M]+ 254.10835 153.4
[M]- 254.10945 153.4
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.