CID 135687095

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

Structural Information

Molecular Formula
C19H17NO5
SMILES
CC1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C19H17NO5/c1-10-4-6-13-12(8-10)18(22)16(19(23)20-13)17(21)11-5-7-14(24-2)15(9-11)25-3/h4-9H,1-3H3,(H2,20,22,23)
InChIKey
ITTGTXCWOFSKLK-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxybenzoyl)-4-hydroxy-6-methyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

339.1107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11798 177.0
[M+Na]+ 362.09992 186.8
[M-H]- 338.10342 181.8
[M+NH4]+ 357.14452 189.2
[M+K]+ 378.07386 182.3
[M+H-H2O]+ 322.10796 168.5
[M+HCOO]- 384.10890 195.1
[M+CH3COO]- 398.12455 210.0
[M+Na-2H]- 360.08537 179.4
[M]+ 339.11015 180.9
[M]- 339.11125 180.9
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