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

146
References

2623
Patents

222.0463 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 144.5
[M+Na]+ 245.03552 156.7
[M-H]- 221.03902 150.3
[M+NH4]+ 240.08012 163.3
[M+K]+ 261.00946 152.7
[M+H-H2O]+ 205.04356 137.6
[M+HCOO]- 267.04450 164.3
[M+CH3COO]- 281.06015 185.0
[M+Na-2H]- 243.02097 146.6
[M]+ 222.04575 149.1
[M]- 222.04685 149.1
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