CID 13544016

Pinky

Structural Information

Molecular Formula

C₁₆H₂₂Cl₂N₂O

SMILES

CN(C)[C@@H]1CCCC[C@H]1N(C)C(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2O/c1-19(2)14-6-4-5-7-15(14)20(3)16(21)11-8-9-12(17)13(18)10-11/h8-10,14-15H,4-7H2,1-3H3/t14-,15-/m1/s1

InChIKey

JGPNMZWFVRQNGU-HUUCEWRRSA-N

Compound name

3,4-dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 53
References: 18
Patents: 328.11093 Da
Monoisotopic Mass: 4.0
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]+	329.11821	176.8
[M+Na]+	351.10015	182.1
[M-H]-	327.10365	184.6
[M+NH4]+	346.14475	192.8
[M+K]+	367.07409	178.3
[M+H-H2O]+	311.10819	170.3
[M+HCOO]-	373.10913	189.1
[M+CH3COO]-	387.12478	218.3
[M+Na-2H]-	349.08560	175.4
[M]+	328.11038	178.3
[M]-	328.11148	178.3

Literature stripe

literature stripe

Patent stripe

patents stripe