CID 3050277

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

Structural Information

Molecular Formula
C13H11NOS
SMILES
C1CSC2=CC(=CC(=O)N21)C3=CC=CC=C3
InChI
InChI=1S/C13H11NOS/c15-12-8-11(10-4-2-1-3-5-10)9-13-14(12)6-7-16-13/h1-5,8-9H,6-7H2
InChIKey
WSZGGQXHKZRKNM-UHFFFAOYSA-N
Compound name
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

9
Patents

229.05614 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06342 147.6
[M+Na]+ 252.04536 158.0
[M-H]- 228.04886 154.7
[M+NH4]+ 247.08996 168.1
[M+K]+ 268.01930 153.2
[M+H-H2O]+ 212.05340 141.1
[M+HCOO]- 274.05434 165.9
[M+CH3COO]- 288.06999 161.2
[M+Na-2H]- 250.03081 151.2
[M]+ 229.05559 149.2
[M]- 229.05669 149.2
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