CID 71270546

Luvadaxistat

Structural Information

Molecular Formula

C₁₃H₁₁F₃N₂O₂

SMILES

C1=CC(=CC=C1CCC2=CC(=O)C(=O)NN2)C(F)(F)F

InChI

InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-11(19)12(20)18-17-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20)

InChIKey

QBQMUMMSYHUDFM-UHFFFAOYSA-N

Compound name

6-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,2-dihydropyridazine-3,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 402
Patents: 284.07727 Da
Monoisotopic Mass: 2.7
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]+	285.084546	160.1
[M+Na]+	307.066488	170.1
[M-H]-	283.069994	158.1
[M+NH4]+	302.111093	171.9
[M+K]+	323.040428	163.1
[M+H-H2O]+	267.074530	149.5
[M+HCOO]-	329.075471	174.9
[M+CH3COO]-	343.091121	193.3
[M+Na-2H]-	305.051936	164.4
[M]+	284.07672142	154.7
[M]-	284.07781858	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe