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
1
Annotation Hits

14
References

1557
Patents

357.07678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08406 179.9
[M+Na]+ 380.06600 190.3
[M-H]- 356.06950 187.8
[M+NH4]+ 375.11060 191.6
[M+K]+ 396.03994 184.2
[M+H-H2O]+ 340.07404 170.6
[M+HCOO]- 402.07498 197.2
[M+CH3COO]- 416.09063 210.3
[M+Na-2H]- 378.05145 183.2
[M]+ 357.07623 185.8
[M]- 357.07733 185.8
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