CID 71836

Flualamide

Structural Information

Molecular Formula

C₁₇H₂₃F₃N₂O₂

SMILES

CCN(CC)CCNC(=O)C1=C(C=C(C=C1)C(F)(F)F)OCC=C

InChI

InChI=1S/C17H23F3N2O2/c1-4-11-24-15-12-13(17(18,19)20)7-8-14(15)16(23)21-9-10-22(5-2)6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3,(H,21,23)

InChIKey

NPORGATXHNRFGX-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]-2-prop-2-enoxy-4-(trifluoromethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 344.17117 Da
Monoisotopic Mass: 3.5
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]+	345.17845	181.1
[M+Na]+	367.16039	186.2
[M-H]-	343.16389	181.4
[M+NH4]+	362.20499	194.6
[M+K]+	383.13433	183.2
[M+H-H2O]+	327.16843	170.8
[M+HCOO]-	389.16937	200.5
[M+CH3COO]-	403.18502	221.4
[M+Na-2H]-	365.14584	181.2
[M]+	344.17062	180.9
[M]-	344.17172	180.9

Literature stripe

literature stripe

Patent stripe

patents stripe