CID 5466428

Nsc690395

Structural Information

Molecular Formula
C13H10N2O2S
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=C(S2=O)N=CC=C3
InChI
InChI=1S/C13H10N2O2S/c16-13-11-7-4-8-14-12(11)18(17)15(13)9-10-5-2-1-3-6-10/h1-8H,9H2
InChIKey
JCXBRLKKOFSIHN-UHFFFAOYSA-N
Compound name
2-benzyl-1-oxo-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0463 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.05358 154.9
[M+Na]+ 281.03552 166.2
[M-H]- 257.03902 160.9
[M+NH4]+ 276.08012 172.8
[M+K]+ 297.00946 161.1
[M+H-H2O]+ 241.04356 147.6
[M+HCOO]- 303.04450 172.2
[M+CH3COO]- 317.06015 167.9
[M+Na-2H]- 279.02097 157.7
[M]+ 258.04575 158.0
[M]- 258.04685 158.0
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.