CID 1504717

5,8-dimethoxy-1,4-dimethylquinolin-2(1h)-one

Structural Information

Molecular Formula
C13H15NO3
SMILES
CC1=CC(=O)N(C2=C(C=CC(=C12)OC)OC)C
InChI
InChI=1S/C13H15NO3/c1-8-7-11(15)14(2)13-10(17-4)6-5-9(16-3)12(8)13/h5-7H,1-4H3
InChIKey
FTGZPMFPUDKJBX-UHFFFAOYSA-N
Compound name
5,8-dimethoxy-1,4-dimethylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

233.1052 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 148.5
[M+Na]+ 256.09442 160.4
[M-H]- 232.09792 153.0
[M+NH4]+ 251.13902 167.4
[M+K]+ 272.06836 157.8
[M+H-H2O]+ 216.10246 141.8
[M+HCOO]- 278.10340 171.1
[M+CH3COO]- 292.11905 194.7
[M+Na-2H]- 254.07987 154.4
[M]+ 233.10465 154.8
[M]- 233.10575 154.8
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

patents stripe