CID 854608

Brn 5131622

Structural Information

Molecular Formula
C17H15NO5S
SMILES
CCOC(=O)COC1=CC2=C(C=C1C)C(=O)C(=CO2)C3=CSC=N3
InChI
InChI=1S/C17H15NO5S/c1-3-21-16(19)7-23-14-5-15-11(4-10(14)2)17(20)12(6-22-15)13-8-24-9-18-13/h4-6,8-9H,3,7H2,1-2H3
InChIKey
YUYWJNKONKWHSH-UHFFFAOYSA-N
Compound name
ethyl 2-[6-methyl-4-oxo-3-(1,3-thiazol-4-yl)chromen-7-yl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0671 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.07438 177.0
[M+Na]+ 368.05632 191.6
[M+NH4]+ 363.10092 183.9
[M+K]+ 384.03026 185.1
[M-H]- 344.05982 181.2
[M+Na-2H]- 366.04177 182.9
[M]+ 345.06655 180.8
[M]- 345.06765 180.8
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.