CID 14734

Alpha,alpha-bis(2-morpholinoethyl)-1-naphthaleneacetonitrile

Structural Information

Molecular Formula

C₂₄H₃₁N₃O₂

SMILES

C1COCCN1CCC(CCN2CCOCC2)(C#N)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H31N3O2/c25-20-24(8-10-26-12-16-28-17-13-26,9-11-27-14-18-29-19-15-27)23-7-3-5-21-4-1-2-6-22(21)23/h1-7H,8-19H2

InChIKey

LXZKOQFDJOEMNI-UHFFFAOYSA-N

Compound name

4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 393.24164 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]+	394.248916	192.3
[M+Na]+	416.230858	195.8
[M-H]-	392.234364	195.3
[M+NH4]+	411.275463	196.4
[M+K]+	432.204798	189.0
[M+H-H2O]+	376.238900	173.8
[M+HCOO]-	438.239841	197.3
[M+CH3COO]-	452.255491	196.8
[M+Na-2H]-	414.216306	195.0
[M]+	393.24109142	181.8
[M]-	393.24218858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.