CID 3052205

N-(2'-pyrrolidinoethyl)phenoxyisobutyramide hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₂

SMILES

CC(C)(C(=O)NCCN1CCCC1)OC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-16(2,20-14-8-4-3-5-9-14)15(19)17-10-13-18-11-6-7-12-18/h3-5,8-9H,6-7,10-13H2,1-2H3,(H,17,19)

InChIKey

YBDSNEGWUMMVPI-UHFFFAOYSA-N

Compound name

2-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylethyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 276.18378 Da
Monoisotopic Mass: 2.4
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]+	277.191056	167.5
[M+Na]+	299.172998	170.4
[M-H]-	275.176504	171.6
[M+NH4]+	294.217603	183.0
[M+K]+	315.146938	168.0
[M+H-H2O]+	259.181040	159.3
[M+HCOO]-	321.181981	186.8
[M+CH3COO]-	335.197631	199.8
[M+Na-2H]-	297.158446	170.1
[M]+	276.18323142	165.9
[M]-	276.18432858	165.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe