CID 10016895

Citrusinine ii

Structural Information

Molecular Formula
C15H13NO5
SMILES
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C=C3O)O)OC
InChI
InChI=1S/C15H13NO5/c1-16-12-7(4-3-5-8(12)17)14(20)11-9(18)6-10(19)15(21-2)13(11)16/h3-6,17-19H,1-2H3
InChIKey
QEGXAAUCDUFHPJ-UHFFFAOYSA-N
Compound name
1,3,5-trihydroxy-4-methoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

3
Patents

287.07938 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08666 162.5
[M+Na]+ 310.06860 178.6
[M+NH4]+ 305.11320 169.4
[M+K]+ 326.04254 172.7
[M-H]- 286.07210 163.8
[M+Na-2H]- 308.05405 167.2
[M]+ 287.07883 165.2
[M]- 287.07993 165.2
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