CID 454904

3,5,8-trimethoxy-1h-quinolin-4-one

Structural Information

Molecular Formula
C12H13NO4
SMILES
COC1=C2C(=C(C=C1)OC)NC=C(C2=O)OC
InChI
InChI=1S/C12H13NO4/c1-15-7-4-5-8(16-2)11-10(7)12(14)9(17-3)6-13-11/h4-6H,1-3H3,(H,13,14)
InChIKey
XFMAHMQJKAIPGX-UHFFFAOYSA-N
Compound name
3,5,8-trimethoxy-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

235.08446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09174 147.9
[M+Na]+ 258.07368 158.6
[M-H]- 234.07718 150.7
[M+NH4]+ 253.11828 165.5
[M+K]+ 274.04762 156.0
[M+H-H2O]+ 218.08172 141.1
[M+HCOO]- 280.08266 169.5
[M+CH3COO]- 294.09831 190.1
[M+Na-2H]- 256.05913 154.6
[M]+ 235.08391 152.9
[M]- 235.08501 152.9
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

No patent data available for this compound.