CID 301835

Alpha-(3-methyl-2-butenyl)-alpha-1-naphthalenyl-4-morpholinebutanenitrile monohydrochloride

Structural Information

Molecular Formula

C₂₃H₂₈N₂O

SMILES

CC(=CCC(CCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32)C

InChI

InChI=1S/C23H28N2O/c1-19(2)10-11-23(18-24,12-13-25-14-16-26-17-15-25)22-9-5-7-20-6-3-4-8-21(20)22/h3-10H,11-17H2,1-2H3

InChIKey

HAWDCYJWAOLQSX-UHFFFAOYSA-N

Compound name

5-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylhex-4-enenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 348.22015 Da
Monoisotopic Mass: 4.7
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]+	349.227426	189.5
[M+Na]+	371.209368	195.1
[M-H]-	347.212874	192.4
[M+NH4]+	366.253973	198.8
[M+K]+	387.183308	187.6
[M+H-H2O]+	331.217410	173.5
[M+HCOO]-	393.218351	198.9
[M+CH3COO]-	407.234001	223.1
[M+Na-2H]-	369.194816	191.6
[M]+	348.21960142	181.7
[M]-	348.22069858	181.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.