CID 3035087

Sodium spiro(2,6-dimethylcyclohexane 2'-thiobarbituric acid)

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CC1CCCC(C12C(=O)NC(=S)NC2=O)C
InChI
InChI=1S/C11H16N2O2S/c1-6-4-3-5-7(2)11(6)8(14)12-10(16)13-9(11)15/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKey
YQFJLKKTCZFXBW-UHFFFAOYSA-N
Compound name
7,11-dimethyl-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09325 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 153.2
[M+Na]+ 263.08247 160.2
[M-H]- 239.08597 152.9
[M+NH4]+ 258.12707 169.9
[M+K]+ 279.05641 154.9
[M+H-H2O]+ 223.09051 147.6
[M+HCOO]- 285.09145 160.0
[M+CH3COO]- 299.10710 185.6
[M+Na-2H]- 261.06792 152.6
[M]+ 240.09270 146.0
[M]- 240.09380 146.0
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

No patent data available for this compound.