CID 73139

62609-86-3

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
C1C(=O)N(C(=S)N1CC(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O3S/c14-9-6-12(7-10(15)16)11(17)13(9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKey
RKOKREQSBUSBRK-UHFFFAOYSA-N
Compound name
2-(4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.04121 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 155.9
[M+Na]+ 273.03043 166.4
[M+NH4]+ 268.07503 162.1
[M+K]+ 289.00437 161.4
[M-H]- 249.03393 156.4
[M+Na-2H]- 271.01588 159.5
[M]+ 250.04066 157.6
[M]- 250.04176 157.6
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

patents stripe