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

103
Patents

208.06703 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.074306 144.0
[M+Na]+ 231.056248 154.0
[M-H]- 207.059754 148.9
[M+NH4]+ 226.100853 163.2
[M+K]+ 247.030188 150.6
[M+H-H2O]+ 191.064290 137.1
[M+HCOO]- 253.065231 160.5
[M+CH3COO]- 267.080881 184.3
[M+Na-2H]- 229.041696 144.1
[M]+ 208.06648142 145.0
[M]- 208.06757858 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

literature stripe

Patent stripe

patents stripe