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 188.4
[M-H]- 344.05982 185.6
[M+NH4]+ 363.10092 191.6
[M+K]+ 384.03026 185.7
[M+H-H2O]+ 328.06436 169.8
[M+HCOO]- 390.06530 195.7
[M+CH3COO]- 404.08095 208.4
[M+Na-2H]- 366.04177 179.2
[M]+ 345.06655 188.2
[M]- 345.06765 188.2
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.