CID 21855

Dimethindene

Structural Information

Molecular Formula

C₂₀H₂₄N₂

SMILES

CC(C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C

InChI

InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3

InChIKey

MVMQESMQSYOVGV-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-[3-(1-pyridin-2-ylethyl)-1H-inden-2-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 254
References: 8969
Patents: 292.19394 Da
Monoisotopic Mass: 2.7
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]+	293.201216	172.9
[M+Na]+	315.183158	179.0
[M-H]-	291.186664	180.2
[M+NH4]+	310.227763	190.1
[M+K]+	331.157098	174.7
[M+H-H2O]+	275.191200	163.9
[M+HCOO]-	337.192141	195.0
[M+CH3COO]-	351.207791	211.4
[M+Na-2H]-	313.168606	175.1
[M]+	292.19339142	174.8
[M]-	292.19448858	174.8

Literature stripe

literature stripe

Patent stripe

patents stripe