CID 135566336

(5r)-2-[(2-fluorophenyl)amino]-5-isopropyl-1,3-thiazol-4(5h)-one

Structural Information

Molecular Formula
C12H13FN2OS
SMILES
CC(C)[C@@H]1C(=O)NC(=NC2=CC=CC=C2F)S1
InChI
InChI=1S/C12H13FN2OS/c1-7(2)10-11(16)15-12(17-10)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15,16)/t10-/m1/s1
InChIKey
OJJBBNIYQKFZDK-SNVBAGLBSA-N
Compound name
(5R)-2-(2-fluorophenyl)imino-5-propan-2-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

252.07326 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08054 154.5
[M+Na]+ 275.06248 162.6
[M-H]- 251.06598 159.0
[M+NH4]+ 270.10708 172.7
[M+K]+ 291.03642 158.1
[M+H-H2O]+ 235.07052 146.8
[M+HCOO]- 297.07146 170.6
[M+CH3COO]- 311.08711 194.4
[M+Na-2H]- 273.04793 152.9
[M]+ 252.07271 152.6
[M]- 252.07381 152.6
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