CID 3547487

477320-15-3

Structural Information

Molecular Formula

C₁₇H₁₈F₂N₄O

SMILES

C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)F)F)C3=CC=CC=N3

InChI

InChI=1S/C17H18F2N4O/c18-13-4-5-15(14(19)11-13)21-17(24)12-22-7-9-23(10-8-22)16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H,21,24)

InChIKey

HXWMJCVKQZTZNF-UHFFFAOYSA-N

Compound name

N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 10
Patents: 332.14487 Da
Monoisotopic Mass: 2.2
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]+	333.15215	178.0
[M+Na]+	355.13409	183.5
[M-H]-	331.13759	180.2
[M+NH4]+	350.17869	186.5
[M+K]+	371.10803	177.3
[M+H-H2O]+	315.14213	164.5
[M+HCOO]-	377.14307	192.5
[M+CH3COO]-	391.15872	185.9
[M+Na-2H]-	353.11954	179.9
[M]+	332.14432	171.1
[M]-	332.14542	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe