CID 395861

Nsc700863

Structural Information

Molecular Formula
C19H14N2O2S
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H14N2O2S/c1-23-16-9-7-15(8-10-16)21-19(22)17-11-14(12-20-18(17)24-21)13-5-3-2-4-6-13/h2-12H,1H3
InChIKey
AUNZNJCWXMECBV-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-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

334.0776 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.084876 176.7
[M+Na]+ 357.066818 189.3
[M-H]- 333.070324 186.4
[M+NH4]+ 352.111423 191.4
[M+K]+ 373.040758 182.5
[M+H-H2O]+ 317.074860 167.8
[M+HCOO]- 379.075801 195.9
[M+CH3COO]- 393.091451 189.2
[M+Na-2H]- 355.052266 179.9
[M]+ 334.07705142 182.9
[M]- 334.07814858 182.9
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.