CID 101083381

Quinolinone b

Structural Information

Molecular Formula
C17H17NO5
SMILES
CO[C@H]1C(=O)NC2=C([C@@]1(C3=CC=C(C=C3)OC)O)C(=CC=C2)O
InChI
InChI=1S/C17H17NO5/c1-22-11-8-6-10(7-9-11)17(21)14-12(4-3-5-13(14)19)18-16(20)15(17)23-2/h3-9,15,19,21H,1-2H3,(H,18,20)/t15-,17+/m0/s1
InChIKey
RKXDYKMWUHSLGF-DOTOQJQBSA-N
Compound name
(3R,4R)-4,5-dihydroxy-3-methoxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

315.1107 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11798 171.6
[M+Na]+ 338.09992 180.2
[M-H]- 314.10342 174.5
[M+NH4]+ 333.14452 185.9
[M+K]+ 354.07386 175.8
[M+H-H2O]+ 298.10796 164.0
[M+HCOO]- 360.10890 187.0
[M+CH3COO]- 374.12455 200.4
[M+Na-2H]- 336.08537 175.9
[M]+ 315.11015 171.6
[M]- 315.11125 171.6
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