CID 395670

Nsc700452

Structural Information

Molecular Formula
C18H12N2O4S
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(S3(=O)=O)N=CC=C4
InChI
InChI=1S/C18H12N2O4S/c21-18-16-7-4-12-19-17(16)25(22,23)20(18)13-8-10-15(11-9-13)24-14-5-2-1-3-6-14/h1-12H
InChIKey
QWAKAYWWRRVGAU-UHFFFAOYSA-N
Compound name
1,1-dioxo-2-(4-phenoxyphenyl)-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0518 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05908 179.1
[M+Na]+ 375.04102 191.0
[M-H]- 351.04452 188.5
[M+NH4]+ 370.08562 194.5
[M+K]+ 391.01496 185.3
[M+H-H2O]+ 335.04906 170.3
[M+HCOO]- 397.05000 196.5
[M+CH3COO]- 411.06565 191.0
[M+Na-2H]- 373.02647 182.7
[M]+ 352.05125 184.1
[M]- 352.05235 184.1
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.