CID 39643

Brn 2458241

Structural Information

Molecular Formula

C₁₆H₂₀N₂O

SMILES

CC(C)NCCNC(=O)C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C16H20N2O/c1-12(2)17-10-11-18-16(19)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,17H,10-11H2,1-2H3,(H,18,19)

InChIKey

DNHMOKOBAOCWHL-UHFFFAOYSA-N

Compound name

N-[2-(propan-2-ylamino)ethyl]naphthalene-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.15756 Da
Monoisotopic Mass: 3.2
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]+	257.164836	160.5
[M+Na]+	279.146778	165.2
[M-H]-	255.150284	164.3
[M+NH4]+	274.191383	177.7
[M+K]+	295.120718	161.7
[M+H-H2O]+	239.154820	153.1
[M+HCOO]-	301.155761	183.0
[M+CH3COO]-	315.171411	203.1
[M+Na-2H]-	277.132226	165.8
[M]+	256.15701142	159.9
[M]-	256.15810858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe