CID 11151529

Taveuniamide h

Structural Information

Molecular Formula

C₁₇H₂₁Cl₂NO

SMILES

CC(=O)NC(CCCC#C/C=C/Cl)CCCC#C/C=C/Cl

InChI

InChI=1S/C17H21Cl2NO/c1-16(21)20-17(12-8-4-2-6-10-14-18)13-9-5-3-7-11-15-19/h10-11,14-15,17H,4-5,8-9,12-13H2,1H3,(H,20,21)/b14-10+,15-11+

InChIKey

BKSORQIXSBADRL-WFYKWJGLSA-N

Compound name

N-[(1E,14E)-1,15-dichloropentadeca-1,14-dien-3,12-diyn-8-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1 Da
Monoisotopic Mass: 4.6
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]+	326.107276	176.8
[M+Na]+	348.089218	185.6
[M-H]-	324.092724	176.8
[M+NH4]+	343.133823	187.4
[M+K]+	364.063158	177.8
[M+H-H2O]+	308.097260	164.4
[M+HCOO]-	370.098201	179.1
[M+CH3COO]-	384.113851	224.1
[M+Na-2H]-	346.074666	174.2
[M]+	325.09945142	171.1
[M]-	325.10054858	171.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.