CID 16226861

923148-42-9

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
C1CC2=C(C=CS2)C3(C1)C(=O)N(C(=O)N3)CC(=O)O
InChI
InChI=1S/C12H12N2O4S/c15-9(16)6-14-10(17)12(13-11(14)18)4-1-2-8-7(12)3-5-19-8/h3,5H,1-2,4,6H2,(H,13,18)(H,15,16)
InChIKey
ZPPSATLMFXJHQU-UHFFFAOYSA-N
Compound name
2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0518 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 162.7
[M+Na]+ 303.04102 170.1
[M+NH4]+ 298.08562 170.2
[M+K]+ 319.01496 166.3
[M-H]- 279.04452 161.3
[M+Na-2H]- 301.02647 164.1
[M]+ 280.05125 163.4
[M]- 280.05235 163.4
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.