CID 2198408

694517-02-7

Structural Information

Molecular Formula

C₁₄H₁₉FN₂O

SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)C)F

InChI

InChI=1S/C14H19FN2O/c1-3-16-6-8-17(9-7-16)14-5-4-12(11(2)18)10-13(14)15/h4-5,10H,3,6-9H2,1-2H3

InChIKey

OEKIGSYJAZJLKI-UHFFFAOYSA-N

Compound name

1-[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 250.14815 Da
Monoisotopic Mass: 2.0
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]+	251.15543	158.5
[M+Na]+	273.13737	164.9
[M-H]-	249.14087	160.5
[M+NH4]+	268.18197	172.9
[M+K]+	289.11131	161.2
[M+H-H2O]+	233.14541	148.8
[M+HCOO]-	295.14635	174.2
[M+CH3COO]-	309.16200	196.5
[M+Na-2H]-	271.12282	159.6
[M]+	250.14760	154.5
[M]-	250.14870	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe