CID 385040

Nsc675961

Structural Information

Molecular Formula
C10H9N3O5S
SMILES
CCOC(=O)CN1C(=O)C2=C(S1)N=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O5S/c1-2-18-8(14)5-12-10(15)7-3-6(13(16)17)4-11-9(7)19-12/h3-4H,2,5H2,1H3
InChIKey
BLRLCZDVLCCCJM-UHFFFAOYSA-N
Compound name
ethyl 2-(5-nitro-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0263 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.03358 157.0
[M+Na]+ 306.01552 166.9
[M-H]- 282.01902 160.4
[M+NH4]+ 301.06012 172.9
[M+K]+ 321.98946 160.1
[M+H-H2O]+ 266.02356 154.7
[M+HCOO]- 328.02450 176.4
[M+CH3COO]- 342.04015 189.9
[M+Na-2H]- 304.00097 162.6
[M]+ 283.02575 162.6
[M]- 283.02685 162.6
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

No patent data available for this compound.