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]+ 335.08488 176.7
[M+Na]+ 357.06682 189.3
[M-H]- 333.07032 186.4
[M+NH4]+ 352.11142 191.4
[M+K]+ 373.04076 182.5
[M+H-H2O]+ 317.07486 167.8
[M+HCOO]- 379.07580 195.9
[M+CH3COO]- 393.09145 189.2
[M+Na-2H]- 355.05227 179.9
[M]+ 334.07705 182.9
[M]- 334.07815 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.