CID 73134

4-imidazolidinone, 1-ethyl-3-methyl-2-thioxo-

Structural Information

Molecular Formula
C6H10N2OS
SMILES
CCN1CC(=O)N(C1=S)C
InChI
InChI=1S/C6H10N2OS/c1-3-8-4-5(9)7(2)6(8)10/h3-4H2,1-2H3
InChIKey
HJARDFLUMLJZDG-UHFFFAOYSA-N
Compound name
1-ethyl-3-methyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

102
Patents

158.05139 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.058666 131.5
[M+Na]+ 181.040608 141.8
[M-H]- 157.044114 133.2
[M+NH4]+ 176.085213 152.9
[M+K]+ 197.014548 139.7
[M+H-H2O]+ 141.048650 126.0
[M+HCOO]- 203.049591 147.6
[M+CH3COO]- 217.065241 176.0
[M+Na-2H]- 179.026056 131.2
[M]+ 158.05084142 132.7
[M]- 158.05193858 132.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe