CID 39788

50765-83-8

Structural Information

Molecular Formula

C₂₈H₃₈N₂

SMILES

CC(C)C(CCN(CC=C(C)C)CC=C(C)C)(CC1=CC=CC2=CC=CC=C21)C#N

InChI

InChI=1S/C28H38N2/c1-22(2)14-17-30(18-15-23(3)4)19-16-28(21-29,24(5)6)20-26-12-9-11-25-10-7-8-13-27(25)26/h7-15,24H,16-20H2,1-6H3

InChIKey

NKZOPTDTXCNHIJ-UHFFFAOYSA-N

Compound name

2-[2-[bis(3-methylbut-2-enyl)amino]ethyl]-3-methyl-2-(naphthalen-1-ylmethyl)butanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 402.3035 Da
Monoisotopic Mass: 7.7
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]+	403.310776	213.4
[M+Na]+	425.292718	217.4
[M-H]-	401.296224	215.9
[M+NH4]+	420.337323	224.0
[M+K]+	441.266658	210.1
[M+H-H2O]+	385.300760	198.6
[M+HCOO]-	447.301701	225.5
[M+CH3COO]-	461.317351	242.4
[M+Na-2H]-	423.278166	209.9
[M]+	402.30295142	209.9
[M]-	402.30404858	209.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.