CID 247275

2260-68-6

Structural Information

Molecular Formula

C₁₂H₁₃FN₄

SMILES

C1=CC(=CC=C1CCC2=CC(=NC(=N2)N)N)F

InChI

InChI=1S/C12H13FN4/c13-9-4-1-8(2-5-9)3-6-10-7-11(14)17-12(15)16-10/h1-2,4-5,7H,3,6H2,(H4,14,15,16,17)

InChIKey

FJLNGUMMTVVRME-UHFFFAOYSA-N

Compound name

6-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 232.11243 Da
Monoisotopic Mass: 1.9
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]+	233.11971	151.7
[M+Na]+	255.10165	160.5
[M-H]-	231.10515	154.0
[M+NH4]+	250.14625	166.1
[M+K]+	271.07559	155.2
[M+H-H2O]+	215.10969	141.9
[M+HCOO]-	277.11063	173.8
[M+CH3COO]-	291.12628	196.1
[M+Na-2H]-	253.08710	157.0
[M]+	232.11188	147.9
[M]-	232.11298	147.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.