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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.053236	157.1
[M+Na]+	296.035178	170.6
[M-H]-	272.038684	166.3
[M+NH4]+	291.079783	175.1
[M+K]+	312.009118	167.3
[M+H-H2O]+	256.043220	150.7
[M+HCOO]-	318.044161	177.5
[M+CH3COO]-	332.059811	171.8
[M+Na-2H]-	294.020626	161.5
[M]+	273.04541142	166.0
[M]-	273.04650858	166.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.