CID 5271649

Chembl98663

Structural Information

Molecular Formula
C13H10N2OS
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=C(S2)N=CC=C3
InChI
InChI=1S/C13H10N2OS/c16-13-11-7-4-8-14-12(11)17-15(13)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
NPRPLCPSBYIKNR-UHFFFAOYSA-N
Compound name
2-benzyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

242.05139 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.05867 150.1
[M+Na]+ 265.04061 162.7
[M-H]- 241.04411 156.6
[M+NH4]+ 260.08521 168.9
[M+K]+ 281.01455 157.1
[M+H-H2O]+ 225.04865 142.8
[M+HCOO]- 287.04959 169.9
[M+CH3COO]- 301.06524 164.0
[M+Na-2H]- 263.02606 155.4
[M]+ 242.05084 154.9
[M]- 242.05194 154.9
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.