CID 6435389

Brn 5972344

Structural Information

Molecular Formula
C12H9ClN2O3S
SMILES
C1=CC(=CC=C1/C=C\2/C(=O)N(C(=S)N2)CC(=O)O)Cl
InChI
InChI=1S/C12H9ClN2O3S/c13-8-3-1-7(2-4-8)5-9-11(18)15(6-10(16)17)12(19)14-9/h1-5H,6H2,(H,14,19)(H,16,17)/b9-5-
InChIKey
WDYKIPPCZDJELN-UITAMQMPSA-N
Compound name
2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.00223 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00951 165.8
[M+Na]+ 318.99145 176.7
[M+NH4]+ 314.03605 171.5
[M+K]+ 334.96539 171.1
[M-H]- 294.99495 165.6
[M+Na-2H]- 316.97690 168.3
[M]+ 296.00168 167.6
[M]- 296.00278 167.6
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.