CID 24837402

3-sulfanylidene-2,4-diazaspiro[5.5]undec-8-ene-1,5-dione

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
C1CC2(CC=C1)C(=O)NC(=S)NC2=O
InChI
InChI=1S/C9H10N2O2S/c12-6-9(4-2-1-3-5-9)7(13)11-8(14)10-6/h1-2H,3-5H2,(H2,10,11,12,13,14)
InChIKey
JGOQTNAJWVVNJM-UHFFFAOYSA-N
Compound name
3-sulfanylidene-2,4-diazaspiro[5.5]undec-9-ene-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0463 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 144.1
[M+Na]+ 233.03552 151.3
[M-H]- 209.03902 143.9
[M+NH4]+ 228.08012 161.4
[M+K]+ 249.00946 146.1
[M+H-H2O]+ 193.04356 138.1
[M+HCOO]- 255.04450 153.1
[M+CH3COO]- 269.06015 176.7
[M+Na-2H]- 231.02097 146.5
[M]+ 210.04575 136.7
[M]- 210.04685 136.7
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.