CID 253834

Eduleine

Structural Information

Molecular Formula
C17H15NO2
SMILES
CN1C(=CC(=O)C2=C1C=C(C=C2)OC)C3=CC=CC=C3
InChI
InChI=1S/C17H15NO2/c1-18-15(12-6-4-3-5-7-12)11-17(19)14-9-8-13(20-2)10-16(14)18/h3-11H,1-2H3
InChIKey
SNNYHVVKJUPXKZ-UHFFFAOYSA-N
Compound name
7-methoxy-1-methyl-2-phenylquinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

12
Patents

265.1103 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11758 159.5
[M+Na]+ 288.09952 170.0
[M-H]- 264.10302 166.5
[M+NH4]+ 283.14412 176.1
[M+K]+ 304.07346 165.1
[M+H-H2O]+ 248.10756 150.8
[M+HCOO]- 310.10850 181.8
[M+CH3COO]- 324.12415 172.5
[M+Na-2H]- 286.08497 166.1
[M]+ 265.10975 162.4
[M]- 265.11085 162.4
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