CID 3073150

146824-80-8

Structural Information

Molecular Formula

C₁₄H₁₄F₃N₃O₂

SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)OCCN

InChI

InChI=1S/C14H14F3N3O2/c1-9-7-12(21)13(22-6-5-18)19-20(9)11-4-2-3-10(8-11)14(15,16)17/h2-4,7-8H,5-6,18H2,1H3

InChIKey

WTINKPRHAWGIIC-UHFFFAOYSA-N

Compound name

3-(2-aminoethoxy)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 313.10382 Da
Monoisotopic Mass: 2.3
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]+	314.111096	169.7
[M+Na]+	336.093038	179.9
[M-H]-	312.096544	170.2
[M+NH4]+	331.137643	181.5
[M+K]+	352.066978	174.7
[M+H-H2O]+	296.101080	158.2
[M+HCOO]-	358.102021	187.4
[M+CH3COO]-	372.117671	207.6
[M+Na-2H]-	334.078486	173.1
[M]+	313.10327142	167.8
[M]-	313.10436858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe