CID 35911

31755-26-7

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₂

SMILES

CCCCN1CCCC(C1)OC(=O)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C18H28N2O2/c1-4-5-11-20-12-7-10-16(13-20)22-18(21)19-17-14(2)8-6-9-15(17)3/h6,8-9,16H,4-5,7,10-13H2,1-3H3,(H,19,21)

InChIKey

HJSYTYDDUHMHMY-UHFFFAOYSA-N

Compound name

(1-butylpiperidin-3-yl) N-(2,6-dimethylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 304.2151 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]+	305.222376	176.4
[M+Na]+	327.204318	180.1
[M-H]-	303.207824	180.6
[M+NH4]+	322.248923	189.8
[M+K]+	343.178258	176.8
[M+H-H2O]+	287.212360	167.4
[M+HCOO]-	349.213301	194.4
[M+CH3COO]-	363.228951	208.9
[M+Na-2H]-	325.189766	176.4
[M]+	304.21455142	174.9
[M]-	304.21564858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe