CID 54697308

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

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]+ 370.128526 184.2
[M+Na]+ 392.110468 194.1
[M-H]- 368.113974 189.2
[M+NH4]+ 387.155073 195.3
[M+K]+ 408.084408 190.3
[M+H-H2O]+ 352.118510 175.4
[M+HCOO]- 414.119451 202.1
[M+CH3COO]- 428.135101 216.6
[M+Na-2H]- 390.095916 185.5
[M]+ 369.12070142 190.2
[M]- 369.12179858 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