CID 4124851

Tdzd-8

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂S

SMILES

CN1C(=O)N(C(=O)S1)CC2=CC=CC=C2

InChI

InChI=1S/C10H10N2O2S/c1-11-9(13)12(10(14)15-11)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey

JDSJDASOXWCHPN-UHFFFAOYSA-N

Compound name

4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 145
References: 2618
Patents: 222.0463 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.05358	147.1
[M+Na]+	245.03552	161.1
[M+NH4]+	240.08012	155.0
[M+K]+	261.00946	154.3
[M-H]-	221.03902	149.6
[M+Na-2H]-	243.02097	154.0
[M]+	222.04575	150.2
[M]-	222.04685	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe