CID 4369451

5-(4-methoxybiphenyl-3-yl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide

Structural Information

Molecular Formula
C15H14N2O4S
SMILES
COC1=C(C=C(C=C1)C2=CC=CC=C2)N3CC(=O)NS3(=O)=O
InChI
InChI=1S/C15H14N2O4S/c1-21-14-8-7-12(11-5-3-2-4-6-11)9-13(14)17-10-15(18)16-22(17,19)20/h2-9H,10H2,1H3,(H,16,18)
InChIKey
IGXKSKWHHHYBFM-UHFFFAOYSA-N
Compound name
5-(2-methoxy-5-phenylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

318.0674 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07468 169.4
[M+Na]+ 341.05662 179.7
[M-H]- 317.06012 176.4
[M+NH4]+ 336.10122 184.7
[M+K]+ 357.03056 174.5
[M+H-H2O]+ 301.06466 161.8
[M+HCOO]- 363.06560 185.2
[M+CH3COO]- 377.08125 181.0
[M+Na-2H]- 339.04207 170.4
[M]+ 318.06685 171.5
[M]- 318.06795 171.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe