CID 9848160

309712-55-8

Structural Information

Molecular Formula

C₂₀H₂₄F₂N₄O

SMILES

CC1=C(C=C(C=C1)CN2CCNCC2)NC(=O)CNC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H24F2N4O/c1-14-2-3-15(13-26-8-6-23-7-9-26)10-19(14)25-20(27)12-24-16-4-5-17(21)18(22)11-16/h2-5,10-11,23-24H,6-9,12-13H2,1H3,(H,25,27)

InChIKey

GRUWKTIRBBPZSD-UHFFFAOYSA-N

Compound name

2-(3,4-difluoroanilino)-N-[2-methyl-5-(piperazin-1-ylmethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 16
References: 31
Patents: 374.1918 Da
Monoisotopic Mass: 2.6
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]+	375.199076	189.8
[M+Na]+	397.181018	193.7
[M-H]-	373.184524	191.9
[M+NH4]+	392.225623	197.3
[M+K]+	413.154958	186.5
[M+H-H2O]+	357.189060	177.0
[M+HCOO]-	419.190001	204.2
[M+CH3COO]-	433.205651	221.4
[M+Na-2H]-	395.166466	189.7
[M]+	374.19125142	181.5
[M]-	374.19234858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.