CID 3589480

Ethyl (4,5-dimethyl-2-(((2-methylphenoxy)acetyl)amino)-3-thienyl)acetate

Structural Information

Molecular Formula

C₁₉H₂₃NO₄S

SMILES

CCOC(=O)CC1=C(SC(=C1C)C)NC(=O)COC2=CC=CC=C2C

InChI

InChI=1S/C19H23NO4S/c1-5-23-18(22)10-15-13(3)14(4)25-19(15)20-17(21)11-24-16-9-7-6-8-12(16)2/h6-9H,5,10-11H2,1-4H3,(H,20,21)

InChIKey

LXNWOYXDNDHSJL-UHFFFAOYSA-N

Compound name

ethyl 2-[4,5-dimethyl-2-[[2-(2-methylphenoxy)acetyl]amino]thiophen-3-yl]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 361.13477 Da
Monoisotopic Mass: 4.1
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]+	362.142046	186.9
[M+Na]+	384.123988	193.6
[M-H]-	360.127494	194.0
[M+NH4]+	379.168593	202.0
[M+K]+	400.097928	190.1
[M+H-H2O]+	344.132030	179.5
[M+HCOO]-	406.132971	205.3
[M+CH3COO]-	420.148621	217.0
[M+Na-2H]-	382.109436	183.0
[M]+	361.13422142	194.6
[M]-	361.13531858	194.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.