CID 4124417

Decanoyl p-nitroaniline

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₃

SMILES

CCCCCCCCCC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H24N2O3/c1-2-3-4-5-6-7-8-9-16(19)17-14-10-12-15(13-11-14)18(20)21/h10-13H,2-9H2,1H3,(H,17,19)

InChIKey

OYQMGBPTCMSMAD-UHFFFAOYSA-N

Compound name

N-(4-nitrophenyl)decanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 292.17868 Da
Monoisotopic Mass: 5.3
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]+	293.18596	170.7
[M+Na]+	315.16790	181.1
[M+NH4]+	310.21250	177.0
[M+K]+	331.14184	176.7
[M-H]-	291.17140	173.5
[M+Na-2H]-	313.15335	174.9
[M]+	292.17813	172.6
[M]-	292.17923	172.6

Literature stripe

literature stripe

Patent stripe

patents stripe