CID 8015374

109688-84-8

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₃S

SMILES

CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)OC)C

InChI

InChI=1S/C14H16N2O3S/c1-4-19-13(17)12-9(2)15-14(20-12)16-10-5-7-11(18-3)8-6-10/h5-8H,4H2,1-3H3,(H,15,16)

InChIKey

ZFIMRNUTFJMLAF-UHFFFAOYSA-N

Compound name

ethyl 2-(4-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 292.08817 Da
Monoisotopic Mass: 3.8
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]+	293.095446	165.8
[M+Na]+	315.077388	174.3
[M-H]-	291.080894	172.2
[M+NH4]+	310.121993	182.4
[M+K]+	331.051328	171.1
[M+H-H2O]+	275.085430	158.3
[M+HCOO]-	337.086371	185.5
[M+CH3COO]-	351.102021	202.0
[M+Na-2H]-	313.062836	165.9
[M]+	292.08762142	171.9
[M]-	292.08871858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe