CID 135687071

3-(3,4-dimethoxybenzoyl)-4-hydroxy-2-quinolone

Structural Information

Molecular Formula
C18H15NO5
SMILES
COC1=C(C=C(C=C1)C(=O)C2=C(C3=CC=CC=C3NC2=O)O)OC
InChI
InChI=1S/C18H15NO5/c1-23-13-8-7-10(9-14(13)24-2)16(20)15-17(21)11-5-3-4-6-12(11)19-18(15)22/h3-9H,1-2H3,(H2,19,21,22)
InChIKey
FMZHOGJAOHHWFV-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxybenzoyl)-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

325.09503 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10231 172.4
[M+Na]+ 348.08425 181.8
[M-H]- 324.08775 177.0
[M+NH4]+ 343.12885 184.9
[M+K]+ 364.05819 177.3
[M+H-H2O]+ 308.09229 163.8
[M+HCOO]- 370.09323 190.9
[M+CH3COO]- 384.10888 205.7
[M+Na-2H]- 346.06970 176.1
[M]+ 325.09448 175.5
[M]- 325.09558 175.5
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