CID 130380

Eclanamine

Structural Information

Molecular Formula

C₁₆H₂₂Cl₂N₂O

SMILES

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

InChI

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

InChIKey

YCRFSKUCDBJWLX-HUUCEWRRSA-N

Compound name

N-(3,4-dichlorophenyl)-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
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	180.4
[M+Na]+	351.10015	186.6
[M-H]-	327.10365	188.6
[M+NH4]+	346.14475	198.3
[M+K]+	367.07409	182.3
[M+H-H2O]+	311.10819	174.0
[M+HCOO]-	373.10913	194.6
[M+CH3COO]-	387.12478	217.8
[M+Na-2H]-	349.08560	177.4
[M]+	328.11038	183.8
[M]-	328.11148	183.8

Literature stripe

literature stripe

Patent stripe

patents stripe