CID 10015624

115299-16-6

Structural Information

Molecular Formula

C₁₃H₁₃NO₃S

SMILES

CCOC(=O)C1=CSC(=N1)C2=CC=CC=C2OC

InChI

InChI=1S/C13H13NO3S/c1-3-17-13(15)10-8-18-12(14-10)9-6-4-5-7-11(9)16-2/h4-8H,3H2,1-2H3

InChIKey

BKXAMRGQLUBAPE-UHFFFAOYSA-N

Compound name

ethyl 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 263.0616 Da
Monoisotopic Mass: 3.1
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]+	264.06888	158.0
[M+Na]+	286.05082	167.1
[M-H]-	262.05432	164.3
[M+NH4]+	281.09542	175.9
[M+K]+	302.02476	164.3
[M+H-H2O]+	246.05886	150.9
[M+HCOO]-	308.05980	177.1
[M+CH3COO]-	322.07545	192.9
[M+Na-2H]-	284.03627	158.5
[M]+	263.06105	164.1
[M]-	263.06215	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe