CID 3033222

1-(4-chlorophenyl)-5-oxo-2-thioxo-4-imidazolidineacetic acid hydrate

Structural Information

Molecular Formula
C11H9ClN2O3S
SMILES
C1=CC(=CC=C1N2C(=O)C(NC2=S)CC(=O)O)Cl
InChI
InChI=1S/C11H9ClN2O3S/c12-6-1-3-7(4-2-6)14-10(17)8(5-9(15)16)13-11(14)18/h1-4,8H,5H2,(H,13,18)(H,15,16)
InChIKey
NVSXWXFECNBYHL-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.00223 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.00951 161.7
[M+Na]+ 306.99145 172.8
[M+NH4]+ 302.03605 167.9
[M+K]+ 322.96539 167.5
[M-H]- 282.99495 161.8
[M+Na-2H]- 304.97690 164.6
[M]+ 284.00168 163.7
[M]- 284.00278 163.7
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.