CID 102519657

Besarhanamide b

Structural Information

Molecular Formula

C₂₁H₃₉NO₄

SMILES

CCCCCCCCCCCCCC(=O)NC(CC(=O)C)COC(=O)C

InChI

InChI=1S/C21H39NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-21(25)22-20(16-18(2)23)17-26-19(3)24/h20H,4-17H2,1-3H3,(H,22,25)

InChIKey

ASMQMRMTPQTLFC-UHFFFAOYSA-N

Compound name

[4-oxo-2-(tetradecanoylamino)pentyl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 369.2879 Da
Monoisotopic Mass: 5.4
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]+	370.29518	200.4
[M+Na]+	392.27712	200.5
[M-H]-	368.28062	198.1
[M+NH4]+	387.32172	211.8
[M+K]+	408.25106	198.5
[M+H-H2O]+	352.28516	192.6
[M+HCOO]-	414.28610	212.6
[M+CH3COO]-	428.30175	224.1
[M+Na-2H]-	390.26257	194.9
[M]+	369.28735	207.4
[M]-	369.28845	207.4

Literature stripe

literature stripe

Patent stripe

patents stripe