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]+ 211.053576 144.1
[M+Na]+ 233.035518 151.3
[M-H]- 209.039024 143.9
[M+NH4]+ 228.080123 161.4
[M+K]+ 249.009458 146.1
[M+H-H2O]+ 193.043560 138.1
[M+HCOO]- 255.044501 153.1
[M+CH3COO]- 269.060151 176.7
[M+Na-2H]- 231.020966 146.5
[M]+ 210.04575142 136.7
[M]- 210.04684858 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.