CID 14661

1224-44-8

Structural Information

Molecular Formula

C₁₈H₂₂N₂

SMILES

CCC(CCN(C)C)(C#N)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C18H22N2/c1-4-18(14-19,12-13-20(2)3)17-11-7-9-15-8-5-6-10-16(15)17/h5-11H,4,12-13H2,1-3H3

InChIKey

FWUWEKZHCRWEQW-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-2-ethyl-2-naphthalen-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.17828 Da
Monoisotopic Mass: 4.0
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]+	267.185556	170.9
[M+Na]+	289.167498	179.0
[M-H]-	265.171004	175.0
[M+NH4]+	284.212103	186.9
[M+K]+	305.141438	173.6
[M+H-H2O]+	249.175540	157.3
[M+HCOO]-	311.176481	188.6
[M+CH3COO]-	325.192131	216.4
[M+Na-2H]-	287.152946	175.7
[M]+	266.17773142	167.5
[M]-	266.17882858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe