CID 3050923

Brn 0026709

Structural Information

Molecular Formula
C11H14N2O3S
SMILES
CSCC1CC=CCC12C(=O)NC(=O)NC2=O
InChI
InChI=1S/C11H14N2O3S/c1-17-6-7-4-2-3-5-11(7)8(14)12-10(16)13-9(11)15/h2-3,7H,4-6H2,1H3,(H2,12,13,14,15,16)
InChIKey
NUBHFTYBPLEYMQ-UHFFFAOYSA-N
Compound name
11-(methylsulfanylmethyl)-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.07251 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.079786 155.0
[M+Na]+ 277.061728 161.9
[M-H]- 253.065234 154.7
[M+NH4]+ 272.106333 170.8
[M+K]+ 293.035668 156.9
[M+H-H2O]+ 237.069770 148.8
[M+HCOO]- 299.070711 163.6
[M+CH3COO]- 313.086361 186.1
[M+Na-2H]- 275.047176 156.2
[M]+ 254.07196142 150.2
[M]- 254.07305858 150.2
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.