CID 324228

60781-17-1

Structural Information

Molecular Formula
C11H6N4O3S
SMILES
C1=CC2=C(N=C1)SC(=O)N2C3=NC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C11H6N4O3S/c16-11-14(8-2-1-5-12-10(8)19-11)9-4-3-7(6-13-9)15(17)18/h1-6H
InChIKey
ATUDQQCICWKFHO-UHFFFAOYSA-N
Compound name
1-(5-nitropyridin-2-yl)-[1,3]thiazolo[5,4-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.01605 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02333 154.4
[M+Na]+ 297.00527 165.7
[M-H]- 273.00877 160.0
[M+NH4]+ 292.04987 169.1
[M+K]+ 312.97921 156.7
[M+H-H2O]+ 257.01331 150.6
[M+HCOO]- 319.01425 174.1
[M+CH3COO]- 333.02990 188.5
[M+Na-2H]- 294.99072 162.4
[M]+ 274.01550 157.0
[M]- 274.01660 157.0
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.