CID 40276

Carbanilic acid, n-ethyl-m-(pentyloxy)-, 1-methyl-2-piperidinoethyl ester, monohydrochloride

Structural Information

Molecular Formula

C₂₂H₃₆N₂O₃

SMILES

CCCCCOC1=CC=CC(=C1)N(CC)C(=O)OC(C)CN2CCCCC2

InChI

InChI=1S/C22H36N2O3/c1-4-6-10-16-26-21-13-11-12-20(17-21)24(5-2)22(25)27-19(3)18-23-14-8-7-9-15-23/h11-13,17,19H,4-10,14-16,18H2,1-3H3

InChIKey

LDWLYRJZVDVCCL-UHFFFAOYSA-N

Compound name

1-piperidin-1-ylpropan-2-yl N-ethyl-N-(3-pentoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 376.27258 Da
Monoisotopic Mass: 5.1
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]+	377.279856	197.1
[M+Na]+	399.261798	196.8
[M-H]-	375.265304	201.1
[M+NH4]+	394.306403	207.2
[M+K]+	415.235738	195.1
[M+H-H2O]+	359.269840	186.6
[M+HCOO]-	421.270781	213.4
[M+CH3COO]-	435.286431	224.6
[M+Na-2H]-	397.247246	194.6
[M]+	376.27203142	198.2
[M]-	376.27312858	198.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.