CID 80284031

1529273-42-4

Structural Information

Molecular Formula

C₁₂H₁₄FN₃

SMILES

CNC(CC1=CC=C(C=C1)F)C2=NC=CN2

InChI

InChI=1S/C12H14FN3/c1-14-11(12-15-6-7-16-12)8-9-2-4-10(13)5-3-9/h2-7,11,14H,8H2,1H3,(H,15,16)

InChIKey

VHRJUONIMNFSSW-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-1-(1H-imidazol-2-yl)-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.11717 Da
Monoisotopic Mass: 1.6
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]+	220.124446	147.4
[M+Na]+	242.106388	154.2
[M-H]-	218.109894	148.8
[M+NH4]+	237.150993	163.7
[M+K]+	258.080328	149.7
[M+H-H2O]+	202.114430	138.1
[M+HCOO]-	264.115371	168.1
[M+CH3COO]-	278.131021	188.2
[M+Na-2H]-	240.091836	151.6
[M]+	219.11662142	143.8
[M]-	219.11771858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.