CID 25904

Clofenciclan

Structural Information

Molecular Formula

C₁₈H₂₈ClNO

SMILES

CCN(CC)CCOC1(CCCCC1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H28ClNO/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3

InChIKey

FFCARBNHUSWRGK-UHFFFAOYSA-N

Compound name

2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 282
Patents: 309.18594 Da
Monoisotopic Mass: 4.6
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]+	310.193216	176.0
[M+Na]+	332.175158	179.7
[M-H]-	308.178664	182.2
[M+NH4]+	327.219763	193.5
[M+K]+	348.149098	175.6
[M+H-H2O]+	292.183200	168.6
[M+HCOO]-	354.184141	191.9
[M+CH3COO]-	368.199791	209.6
[M+Na-2H]-	330.160606	178.2
[M]+	309.18539142	176.9
[M]-	309.18648858	176.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe