CID 25263414

Dsm74

Structural Information

Molecular Formula

C₁₃H₁₀F₃N₅

SMILES

CC1=NC2=NC=NN2C(=C1)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3

InChIKey

LRHHXKBKRNNFRV-UHFFFAOYSA-N

Compound name

5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 6
Patents: 293.08884 Da
Monoisotopic Mass: 3.3
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]+	294.09612	163.5
[M+Na]+	316.07806	175.5
[M-H]-	292.08156	163.3
[M+NH4]+	311.12266	176.3
[M+K]+	332.05200	168.9
[M+H-H2O]+	276.08610	151.2
[M+HCOO]-	338.08704	180.9
[M+CH3COO]-	352.10269	174.3
[M+Na-2H]-	314.06351	170.6
[M]+	293.08829	162.0
[M]-	293.08939	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe