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

96
Patents

284.07727 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08455 163.7
[M+Na]+ 307.06649 174.1
[M+NH4]+ 302.11109 167.2
[M+K]+ 323.04043 168.9
[M-H]- 283.06999 160.3
[M+Na-2H]- 305.05194 168.4
[M]+ 284.07672 163.8
[M]- 284.07782 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe