CID 4434088

33930-10-8

Structural Information

Molecular Formula

C₂₂H₃₀N₂

SMILES

CN(C)C1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H30N2/c1-23(2)20-12-8-18(9-13-20)22(16-6-5-7-17-22)19-10-14-21(15-11-19)24(3)4/h8-15H,5-7,16-17H2,1-4H3

InChIKey

JMCJDEVXPBNXJW-UHFFFAOYSA-N

Compound name

4-[1-[4-(dimethylamino)phenyl]cyclohexyl]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 322.2409 Da
Monoisotopic Mass: 6.4
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]+	323.248176	180.8
[M+Na]+	345.230118	183.5
[M-H]-	321.233624	191.8
[M+NH4]+	340.274723	196.9
[M+K]+	361.204058	180.8
[M+H-H2O]+	305.238160	170.8
[M+HCOO]-	367.239101	202.5
[M+CH3COO]-	381.254751	221.2
[M+Na-2H]-	343.215566	182.8
[M]+	322.24035142	177.7
[M]-	322.24144858	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe