CID 2517671

3-(3,5-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CC1=CC(=CC(=C1)N2C(=O)CNC2=S)C
InChI
InChI=1S/C11H12N2OS/c1-7-3-8(2)5-9(4-7)13-10(14)6-12-11(13)15/h3-5H,6H2,1-2H3,(H,12,15)
InChIKey
YEQMNNDNDJPUPO-UHFFFAOYSA-N
Compound name
3-(3,5-dimethylphenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 147.9
[M+Na]+ 243.05625 158.2
[M-H]- 219.05975 151.6
[M+NH4]+ 238.10085 166.1
[M+K]+ 259.03019 153.0
[M+H-H2O]+ 203.06429 141.6
[M+HCOO]- 265.06523 162.7
[M+CH3COO]- 279.08088 185.1
[M+Na-2H]- 241.04170 146.5
[M]+ 220.06648 147.2
[M]- 220.06758 147.2
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.