CID 54697308

4-hydroxy-6-methyl-3-(2,3,4-trimethoxybenzoyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C20H19NO6
SMILES
CC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=C(C(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C20H19NO6/c1-10-5-7-13-12(9-10)17(23)15(20(24)21-13)16(22)11-6-8-14(25-2)19(27-4)18(11)26-3/h5-9H,1-4H3,(H2,21,23,24)
InChIKey
PCUWSGCQBGOKPM-UHFFFAOYSA-N
Compound name
4-hydroxy-6-methyl-3-(2,3,4-trimethoxybenzoyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.12125 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12853 184.2
[M+Na]+ 392.11047 194.1
[M-H]- 368.11397 189.2
[M+NH4]+ 387.15507 195.3
[M+K]+ 408.08441 190.3
[M+H-H2O]+ 352.11851 175.4
[M+HCOO]- 414.11945 202.1
[M+CH3COO]- 428.13510 216.6
[M+Na-2H]- 390.09592 185.5
[M]+ 369.12070 190.2
[M]- 369.12180 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe