CID 102653

1606-09-3

Structural Information

Molecular Formula

C₂₁H₃₀N₂O

SMILES

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

InChI

InChI=1S/C21H30N2O/c1-5-23(6-2)15-14-21(16(3)4,20(22)24)19-13-9-11-17-10-7-8-12-18(17)19/h7-13,16H,5-6,14-15H2,1-4H3,(H2,22,24)

InChIKey

RPVBPDPLQFCQRB-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethyl]-3-methyl-2-naphthalen-1-ylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 326.2358 Da
Monoisotopic Mass: 4.3
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]+	327.243076	183.9
[M+Na]+	349.225018	186.8
[M-H]-	325.228524	187.9
[M+NH4]+	344.269623	198.6
[M+K]+	365.198958	183.9
[M+H-H2O]+	309.233060	176.0
[M+HCOO]-	371.234001	202.9
[M+CH3COO]-	385.249651	221.8
[M+Na-2H]-	347.210466	185.5
[M]+	326.23525142	184.9
[M]-	326.23634858	184.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe