CID 14649075

Schembl9652240

Structural Information

Molecular Formula
C10H12N2OS
SMILES
C[C@@H]1C(=O)N([C@H](S1)C2=CN=CC=C2)C
InChI
InChI=1S/C10H12N2OS/c1-7-9(13)12(2)10(14-7)8-4-3-5-11-6-8/h3-7,10H,1-2H3/t7-,10-/m1/s1
InChIKey
FZXAQGVGSAANBR-GMSGAONNSA-N
Compound name
(2R,5R)-3,5-dimethyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

101
Patents

208.06703 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07431 144.0
[M+Na]+ 231.05625 154.0
[M-H]- 207.05975 148.9
[M+NH4]+ 226.10085 163.2
[M+K]+ 247.03019 150.6
[M+H-H2O]+ 191.06429 137.1
[M+HCOO]- 253.06523 160.5
[M+CH3COO]- 267.08088 184.3
[M+Na-2H]- 229.04170 144.1
[M]+ 208.06648 145.0
[M]- 208.06758 145.0
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.