CID 395669

Nsc700451

Structural Information

Molecular Formula
C24H16N2O2S
SMILES
C1=CC=C(C=C1)C2=CC3=C(N=C2)SN(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5
InChI
InChI=1S/C24H16N2O2S/c27-24-22-15-18(17-7-3-1-4-8-17)16-25-23(22)29-26(24)19-11-13-21(14-12-19)28-20-9-5-2-6-10-20/h1-16H
InChIKey
UIKMXJFMSVNXOX-UHFFFAOYSA-N
Compound name
2-(4-phenoxyphenyl)-5-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.09326 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.10054 194.5
[M+Na]+ 419.08248 206.0
[M-H]- 395.08598 206.7
[M+NH4]+ 414.12708 205.8
[M+K]+ 435.05642 197.8
[M+H-H2O]+ 379.09052 184.0
[M+HCOO]- 441.09146 213.0
[M+CH3COO]- 455.10711 205.4
[M+Na-2H]- 417.06793 197.3
[M]+ 396.09271 199.3
[M]- 396.09381 199.3
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.