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 167.0
[M+Na]+ 324.06649 183.6
[M+NH4]+ 319.11109 175.8
[M+K]+ 340.04043 175.7
[M-H]- 300.06999 172.8
[M+Na-2H]- 322.05194 174.2
[M]+ 301.07672 171.8
[M]- 301.07782 171.8
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.