CID 717411

(5e)-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
CCOC1=CC=C(C=C1)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C12H12N2O2S/c1-2-16-9-5-3-8(4-6-9)7-10-11(15)14-12(17)13-10/h3-7H,2H2,1H3,(H2,13,14,15,17)/b10-7+
InChIKey
RITUOSPVHZGHDM-JXMROGBWSA-N
Compound name
(5E)-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.06195 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 155.9
[M+Na]+ 271.05117 164.5
[M-H]- 247.05467 157.6
[M+NH4]+ 266.09577 171.7
[M+K]+ 287.02511 158.0
[M+H-H2O]+ 231.05921 149.2
[M+HCOO]- 293.06015 169.2
[M+CH3COO]- 307.07580 185.1
[M+Na-2H]- 269.03662 154.3
[M]+ 248.06140 153.8
[M]- 248.06250 153.8
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.