CID 45008

Brn 2731532

Structural Information

Molecular Formula

C₁₆H₂₄N₂O

SMILES

CN(C)C(C1CCCCC1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H24N2O/c1-18(2)15(13-9-5-3-6-10-13)17-16(19)14-11-7-4-8-12-14/h4,7-8,11-13,15H,3,5-6,9-10H2,1-2H3,(H,17,19)

InChIKey

JVIPDFVDUJZREB-UHFFFAOYSA-N

Compound name

N-[cyclohexyl(dimethylamino)methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 260.18887 Da
Monoisotopic Mass: 3.8
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]+	261.196146	163.6
[M+Na]+	283.178088	164.3
[M-H]-	259.181594	169.8
[M+NH4]+	278.222693	179.4
[M+K]+	299.152028	162.9
[M+H-H2O]+	243.186130	155.1
[M+HCOO]-	305.187071	183.9
[M+CH3COO]-	319.202721	204.6
[M+Na-2H]-	281.163536	165.1
[M]+	260.18832142	158.3
[M]-	260.18941858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe