CID 165871442

2551117-28-1

Structural Information

Molecular Formula

C₁₀H₁₂F₃N₃O₂

SMILES

COC(=O)C1=C(N=C2N1CCC(C2)C(F)(F)F)N

InChI

InChI=1S/C10H12F3N3O2/c1-18-9(17)7-8(14)15-6-4-5(10(11,12)13)2-3-16(6)7/h5H,2-4,14H2,1H3

InChIKey

NJXYFBDYKHPIGS-UHFFFAOYSA-N

Compound name

methyl 2-amino-7-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.08817 Da
Monoisotopic Mass: 2.1
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]+	264.095446	155.1
[M+Na]+	286.077388	163.8
[M-H]-	262.080894	152.9
[M+NH4]+	281.121993	171.7
[M+K]+	302.051328	160.9
[M+H-H2O]+	246.085430	146.0
[M+HCOO]-	308.086371	169.6
[M+CH3COO]-	322.102021	196.9
[M+Na-2H]-	284.062836	156.7
[M]+	263.08762142	150.0
[M]-	263.08871858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.