CID 71778

Rilopirox

Structural Information

Molecular Formula

C₁₉H₁₆ClNO₄

SMILES

CC1=CC(=O)N(C(=C1)COC2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C19H16ClNO4/c1-13-10-15(21(23)19(22)11-13)12-24-16-6-8-18(9-7-16)25-17-4-2-14(20)3-5-17/h2-11,23H,12H2,1H3

InChIKey

UDYUIWXQUBNDHC-UHFFFAOYSA-N

Compound name

6-[[4-(4-chlorophenoxy)phenoxy]methyl]-1-hydroxy-4-methylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 1715
Patents: 357.07678 Da
Monoisotopic Mass: 3.4
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]+	358.084056	179.9
[M+Na]+	380.065998	190.3
[M-H]-	356.069504	187.8
[M+NH4]+	375.110603	191.6
[M+K]+	396.039938	184.2
[M+H-H2O]+	340.074040	170.6
[M+HCOO]-	402.074981	197.2
[M+CH3COO]-	416.090631	210.3
[M+Na-2H]-	378.051446	183.2
[M]+	357.07623142	185.8
[M]-	357.07732858	185.8

Literature stripe

literature stripe

Patent stripe

patents stripe