CID 393163

Nsc694617

Structural Information

Molecular Formula
C12H7N3O3S
SMILES
C1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H7N3O3S/c16-12-10-2-1-7-13-11(10)19-14(12)8-3-5-9(6-4-8)15(17)18/h1-7H
InChIKey
FNOXOZZGUYTTPU-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

273.0208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02808 155.2
[M+Na]+ 296.01002 166.1
[M-H]- 272.01352 162.0
[M+NH4]+ 291.05462 171.3
[M+K]+ 311.98396 157.2
[M+H-H2O]+ 256.01806 151.9
[M+HCOO]- 318.01900 175.9
[M+CH3COO]- 332.03465 188.6
[M+Na-2H]- 293.99547 162.5
[M]+ 273.02025 157.8
[M]- 273.02135 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.