CID 73333

Amperozide

Structural Information

Molecular Formula

C₂₃H₂₉F₂N₃O

SMILES

CCNC(=O)N1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)

InChIKey

NNAIYOXJNVGUOM-UHFFFAOYSA-N

Compound name

4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 116
References: 1285
Patents: 401.22787 Da
Monoisotopic Mass: 4.1
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]+	402.235146	200.0
[M+Na]+	424.217088	202.6
[M-H]-	400.220594	202.5
[M+NH4]+	419.261693	207.1
[M+K]+	440.191028	196.0
[M+H-H2O]+	384.225130	186.4
[M+HCOO]-	446.226071	212.8
[M+CH3COO]-	460.241721	226.3
[M+Na-2H]-	422.202536	197.5
[M]+	401.22732142	193.9
[M]-	401.22841858	193.9

Literature stripe

literature stripe

Patent stripe

patents stripe