CID 984150

Brn 5143689

Structural Information

Molecular Formula
C19H19NO5S
SMILES
CCC1=CC2=C(C=C1OCC(=O)OCC)OC=C(C2=O)C3=CSC(=N3)C
InChI
InChI=1S/C19H19NO5S/c1-4-12-6-13-17(7-16(12)25-9-18(21)23-5-2)24-8-14(19(13)22)15-10-26-11(3)20-15/h6-8,10H,4-5,9H2,1-3H3
InChIKey
FUXKJKKFVRCUPS-UHFFFAOYSA-N
Compound name
ethyl 2-[6-ethyl-3-(2-methyl-1,3-thiazol-4-yl)-4-oxochromen-7-yl]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.0984 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.10568 186.1
[M+Na]+ 396.08762 197.3
[M-H]- 372.09112 194.7
[M+NH4]+ 391.13222 199.7
[M+K]+ 412.06156 194.3
[M+H-H2O]+ 356.09566 178.7
[M+HCOO]- 418.09660 204.0
[M+CH3COO]- 432.11225 215.5
[M+Na-2H]- 394.07307 186.6
[M]+ 373.09785 198.3
[M]- 373.09895 198.3
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.