CID 389236

Nsc684989

Structural Information

Molecular Formula
C14H11NO3S
SMILES
CC1=NC(=CS1)C2=CC3=C(C=CC(=C3)OC)OC2=O
InChI
InChI=1S/C14H11NO3S/c1-8-15-12(7-19-8)11-6-9-5-10(17-2)3-4-13(9)18-14(11)16/h3-7H,1-2H3
InChIKey
LIAJMGUHCYPMTB-UHFFFAOYSA-N
Compound name
6-methoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.04596 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.05324 157.1
[M+Na]+ 296.03518 170.6
[M-H]- 272.03868 166.3
[M+NH4]+ 291.07978 175.1
[M+K]+ 312.00912 167.3
[M+H-H2O]+ 256.04322 150.7
[M+HCOO]- 318.04416 177.5
[M+CH3COO]- 332.05981 171.8
[M+Na-2H]- 294.02063 161.5
[M]+ 273.04541 166.0
[M]- 273.04651 166.0
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.