CID 53049

Brn 4508949

Structural Information

Molecular Formula
C16H15NO3S
SMILES
CCC1=CC2=C(C=C1OC)OC=C(C2=O)C3=CSC(=N3)C
InChI
InChI=1S/C16H15NO3S/c1-4-10-5-11-15(6-14(10)19-3)20-7-12(16(11)18)13-8-21-9(2)17-13/h5-8H,4H2,1-3H3
InChIKey
GVYXPRZGYPAJGG-UHFFFAOYSA-N
Compound name
6-ethyl-7-methoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07727 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08455 166.3
[M+Na]+ 324.06649 179.7
[M-H]- 300.06999 175.5
[M+NH4]+ 319.11109 183.5
[M+K]+ 340.04043 176.0
[M+H-H2O]+ 284.07453 159.7
[M+HCOO]- 346.07547 185.9
[M+CH3COO]- 360.09112 180.4
[M+Na-2H]- 322.05194 169.0
[M]+ 301.07672 176.2
[M]- 301.07782 176.2
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.