CID 50055

O-pentyloxycarbanilic acid 2-(dimethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₆N₂O₃

SMILES

CCCCCOC1=CC=CC=C1NC(=O)OCCN(C)C

InChI

InChI=1S/C16H26N2O3/c1-4-5-8-12-20-15-10-7-6-9-14(15)17-16(19)21-13-11-18(2)3/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,17,19)

InChIKey

KHKCIIGXUFZXEM-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethyl N-(2-pentoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 294.19434 Da
Monoisotopic Mass: 3.9
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]+	295.201616	173.0
[M+Na]+	317.183558	176.6
[M-H]-	293.187064	177.0
[M+NH4]+	312.228163	188.4
[M+K]+	333.157498	175.9
[M+H-H2O]+	277.191600	164.7
[M+HCOO]-	339.192541	197.6
[M+CH3COO]-	353.208191	211.6
[M+Na-2H]-	315.169006	175.3
[M]+	294.19379142	178.3
[M]-	294.19488858	178.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.