CID 640492

256954-38-8

Structural Information

Molecular Formula

C₉H₁₀F₃N₃

SMILES

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

InChI

InChI=1S/C9H10F3N3/c10-9(11,12)7-5-3-1-2-4-6(5)14-8(13)15-7/h1-4H2,(H2,13,14,15)

InChIKey

DPGLGUYFUNFDRY-UHFFFAOYSA-N

Compound name

4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 217.08269 Da
Monoisotopic Mass: 2.0
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]+	218.08997	144.4
[M+Na]+	240.07191	153.1
[M+NH4]+	235.11651	150.2
[M+K]+	256.04585	148.3
[M-H]-	216.07541	141.6
[M+Na-2H]-	238.05736	148.0
[M]+	217.08214	144.5
[M]-	217.08324	144.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.