CID 478696

Chembl290223

Structural Information

Molecular Formula
C15H10N2O2S
SMILES
C1=CC2=C(C=C1C3=CC=NC=C3)SC=C(C2=O)C(=O)N
InChI
InChI=1S/C15H10N2O2S/c16-15(19)12-8-20-13-7-10(1-2-11(13)14(12)18)9-3-5-17-6-4-9/h1-8H,(H2,16,19)
InChIKey
JWCJMBSGRUTQLI-UHFFFAOYSA-N
Compound name
4-oxo-7-pyridin-4-ylthiochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

282.0463 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05358 160.2
[M+Na]+ 305.03552 170.0
[M-H]- 281.03902 166.6
[M+NH4]+ 300.08012 175.6
[M+K]+ 321.00946 164.1
[M+H-H2O]+ 265.04356 152.2
[M+HCOO]- 327.04450 177.8
[M+CH3COO]- 341.06015 172.1
[M+Na-2H]- 303.02097 164.7
[M]+ 282.04575 161.5
[M]- 282.04685 161.5
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.