CID 187760

55154-30-8

Structural Information

Molecular Formula

C₁₆H₂₂Cl₂N₂O

SMILES

CN(C)C1(CCCCC1)CNC(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2O/c1-20(2)16(8-4-3-5-9-16)11-19-15(21)12-6-7-13(17)14(18)10-12/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,19,21)

InChIKey

JMZROFPPEXCTST-UHFFFAOYSA-N

Compound name

3,4-dichloro-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 44
Patents: 328.11093 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]+	329.118206	175.6
[M+Na]+	351.100148	180.8
[M-H]-	327.103654	181.9
[M+NH4]+	346.144753	192.7
[M+K]+	367.074088	175.9
[M+H-H2O]+	311.108190	169.8
[M+HCOO]-	373.109131	187.5
[M+CH3COO]-	387.124781	213.3
[M+Na-2H]-	349.085596	176.8
[M]+	328.11038142	175.7
[M]-	328.11147858	175.7

Literature stripe

literature stripe

Patent stripe

patents stripe