CID 3021954

2-(4-(2,5-dimethyl-1h-pyrrol-1-yl)phenoxy)-n-(ethoxyphenyl)propanamide

Structural Information

Molecular Formula

C₂₃H₂₆N₂O₃

SMILES

CCOC1=CC=CC=C1NC(=O)C(C)OC2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C23H26N2O3/c1-5-27-22-9-7-6-8-21(22)24-23(26)18(4)28-20-14-12-19(13-15-20)25-16(2)10-11-17(25)3/h6-15,18H,5H2,1-4H3,(H,24,26)

InChIKey

JRVFZUVERFAPFX-UHFFFAOYSA-N

Compound name

2-[4-(2,5-dimethylpyrrol-1-yl)phenoxy]-N-(2-ethoxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 378.19434 Da
Monoisotopic Mass: 4.7
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]+	379.201616	193.2
[M+Na]+	401.183558	199.0
[M-H]-	377.187064	201.9
[M+NH4]+	396.228163	205.0
[M+K]+	417.157498	194.9
[M+H-H2O]+	361.191600	183.3
[M+HCOO]-	423.192541	215.1
[M+CH3COO]-	437.208191	223.2
[M+Na-2H]-	399.169006	191.6
[M]+	378.19379142	197.1
[M]-	378.19488858	197.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.