CID 114402

Dtxsid30909658

Structural Information

Molecular Formula

C₂₀H₂₅N

SMILES

CC1CC(C2=CC=CC=C12)(CCN(C)C)C3=CC=CC=C3

InChI

InChI=1S/C20H25N/c1-16-15-20(13-14-21(2)3,17-9-5-4-6-10-17)19-12-8-7-11-18(16)19/h4-12,16H,13-15H2,1-3H3

InChIKey

CCYQJMILYNLXSX-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(3-methyl-1-phenyl-2,3-dihydroinden-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 279.1987 Da
Monoisotopic Mass: 4.9
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]+	280.205976	169.3
[M+Na]+	302.187918	175.8
[M-H]-	278.191424	177.9
[M+NH4]+	297.232523	190.5
[M+K]+	318.161858	171.4
[M+H-H2O]+	262.195960	161.6
[M+HCOO]-	324.196901	192.3
[M+CH3COO]-	338.212551	181.4
[M+Na-2H]-	300.173366	172.6
[M]+	279.19815142	170.0
[M]-	279.19924858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe