CID 3080451

4-imidazolidinone, 5-(1-(dimethylamino)ethylidene)-2-thioxo-

Structural Information

Molecular Formula
C7H11N3OS
SMILES
C/C(=C\1/C(=O)NC(=S)N1)/N(C)C
InChI
InChI=1S/C7H11N3OS/c1-4(10(2)3)5-6(11)9-7(12)8-5/h1-3H3,(H2,8,9,11,12)/b5-4+
InChIKey
KDCPDZBEIPNEPY-SNAWJCMRSA-N
Compound name
(5E)-5-[1-(dimethylamino)ethylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06229 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.069566 141.3
[M+Na]+ 208.051508 148.6
[M-H]- 184.055014 141.1
[M+NH4]+ 203.096113 159.9
[M+K]+ 224.025448 145.5
[M+H-H2O]+ 168.059550 135.2
[M+HCOO]- 230.060491 154.6
[M+CH3COO]- 244.076141 180.3
[M+Na-2H]- 206.036956 139.0
[M]+ 185.06174142 137.7
[M]- 185.06283858 137.7
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.