CID 135687100

4-hydroxy-3-(2,4,5-trimethoxybenzoyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C19H17NO6
SMILES
COC1=CC(=C(C=C1C(=O)C2=C(C3=CC=CC=C3NC2=O)O)OC)OC
InChI
InChI=1S/C19H17NO6/c1-24-13-9-15(26-3)14(25-2)8-11(13)18(22)16-17(21)10-6-4-5-7-12(10)20-19(16)23/h4-9H,1-3H3,(H2,20,21,23)
InChIKey
DRJSJNVKWMTCAO-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(2,4,5-trimethoxybenzoyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

355.1056 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11288 179.7
[M+Na]+ 378.09482 189.1
[M-H]- 354.09832 184.4
[M+NH4]+ 373.13942 191.0
[M+K]+ 394.06876 185.4
[M+H-H2O]+ 338.10286 170.8
[M+HCOO]- 400.10380 197.9
[M+CH3COO]- 414.11945 212.3
[M+Na-2H]- 376.08027 182.2
[M]+ 355.10505 184.9
[M]- 355.10615 184.9
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