CID 3080450

4-imidazolidinone, 5-((dimethylamino)methylene)-2-thioxo-

Structural Information

Molecular Formula
C6H9N3OS
SMILES
CN(C)/C=C\1/C(=O)NC(=S)N1
InChI
InChI=1S/C6H9N3OS/c1-9(2)3-4-5(10)8-6(11)7-4/h3H,1-2H3,(H2,7,8,10,11)/b4-3-
InChIKey
CDUAFWFRAZFSIC-ARJAWSKDSA-N
Compound name
(5Z)-5-(dimethylaminomethylidene)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.04663 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.053906 136.7
[M+Na]+ 194.035848 144.8
[M-H]- 170.039354 136.7
[M+NH4]+ 189.080453 156.0
[M+K]+ 210.009788 141.4
[M+H-H2O]+ 154.043890 130.7
[M+HCOO]- 216.044831 151.4
[M+CH3COO]- 230.060481 176.4
[M+Na-2H]- 192.021296 136.0
[M]+ 171.04608142 133.5
[M]- 171.04717858 133.5
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.