CID 3050280

2,3-dihydro-7-phenyl-5h-thiazolo(3,2-a)pyridin-5-one 1-oxide

Structural Information

Molecular Formula
C13H11NO2S
SMILES
C1CS(=O)C2=CC(=CC(=O)N21)C3=CC=CC=C3
InChI
InChI=1S/C13H11NO2S/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-17(13)16/h1-5,8-9H,6-7H2
InChIKey
DUXHHPOFWOFDES-UHFFFAOYSA-N
Compound name
1-oxo-7-phenyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.05106 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05834 150.9
[M+Na]+ 268.04028 162.1
[M-H]- 244.04378 158.3
[M+NH4]+ 263.08488 170.8
[M+K]+ 284.01422 157.3
[M+H-H2O]+ 228.04832 144.5
[M+HCOO]- 290.04926 169.5
[M+CH3COO]- 304.06491 164.6
[M+Na-2H]- 266.02573 153.9
[M]+ 245.05051 153.6
[M]- 245.05161 153.6
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

patents stripe