CID 5487772

Citrusinine i

Structural Information

Molecular Formula
C16H15NO5
SMILES
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)OC)OC
InChI
InChI=1S/C16H15NO5/c1-17-13-8(5-4-6-9(13)18)15(20)12-10(19)7-11(21-2)16(22-3)14(12)17/h4-7,18-19H,1-3H3
InChIKey
UTEAJHNFBCLZHN-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-3,4-dimethoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

37
Patents

301.09503 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10231 166.6
[M+Na]+ 324.08425 183.0
[M+NH4]+ 319.12885 173.7
[M+K]+ 340.05819 176.5
[M-H]- 300.08775 168.3
[M+Na-2H]- 322.06970 171.7
[M]+ 301.09448 169.5
[M]- 301.09558 169.5
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