CID 5619

149341-39-9

Structural Information

Molecular Formula

C₁₉H₂₆Cl₂N₂O

SMILES

CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3

InChIKey

VQLPLYSROCPWFF-UHFFFAOYSA-N

Compound name

2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1754
References: 669
Patents: 368.1422 Da
Monoisotopic Mass: 4.4
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]+	369.14948	190.9
[M+Na]+	391.13142	194.6
[M-H]-	367.13492	198.0
[M+NH4]+	386.17602	204.7
[M+K]+	407.10536	188.6
[M+H-H2O]+	351.13946	182.1
[M+HCOO]-	413.14040	198.3
[M+CH3COO]-	427.15605	217.8
[M+Na-2H]-	389.11687	185.8
[M]+	368.14165	188.5
[M]-	368.14275	188.5

Literature stripe

literature stripe

Patent stripe

patents stripe