CID 181428

Fk 960

Structural Information

Molecular Formula

C₁₃H₁₆FN₃O₂

SMILES

CC(=O)N1CCN(CC1)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H16FN3O2/c1-10(18)16-6-8-17(9-7-16)15-13(19)11-2-4-12(14)5-3-11/h2-5H,6-9H2,1H3,(H,15,19)

InChIKey

XTOKQKWTUYYVAO-UHFFFAOYSA-N

Compound name

N-(4-acetylpiperazin-1-yl)-4-fluorobenzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 21
References: 99
Patents: 265.12265 Da
Monoisotopic Mass: 0.8
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]+	266.12993	160.2
[M+Na]+	288.11187	165.3
[M-H]-	264.11537	162.2
[M+NH4]+	283.15647	173.2
[M+K]+	304.08581	162.2
[M+H-H2O]+	248.11991	150.2
[M+HCOO]-	310.12085	176.7
[M+CH3COO]-	324.13650	198.2
[M+Na-2H]-	286.09732	161.9
[M]+	265.12210	154.7
[M]-	265.12320	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe