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 154.0
[M+Na]+ 273.03043 162.8
[M-H]- 249.03393 157.3
[M+NH4]+ 268.07503 170.2
[M+K]+ 289.00437 158.6
[M+H-H2O]+ 233.03847 147.2
[M+HCOO]- 295.03941 168.3
[M+CH3COO]- 309.05506 188.2
[M+Na-2H]- 271.01588 152.4
[M]+ 250.04066 154.3
[M]- 250.04176 154.3
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