CID 5494824

Grandisine iii

Structural Information

Molecular Formula
C15H13NO5
SMILES
CN1C2=C(C(=CC(=C2)O)O)C(=O)C3=C1C(=C(C=C3)O)OC
InChI
InChI=1S/C15H13NO5/c1-16-9-5-7(17)6-11(19)12(9)14(20)8-3-4-10(18)15(21-2)13(8)16/h3-6,17-19H,1-2H3
InChIKey
QNXGBYOUHGRJCI-UHFFFAOYSA-N
Compound name
1,3,6-trihydroxy-5-methoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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 161.2
[M+Na]+ 310.06860 174.3
[M-H]- 286.07210 163.6
[M+NH4]+ 305.11320 176.8
[M+K]+ 326.04254 169.7
[M+H-H2O]+ 270.07664 154.5
[M+HCOO]- 332.07758 179.7
[M+CH3COO]- 346.09323 198.7
[M+Na-2H]- 308.05405 167.3
[M]+ 287.07883 166.5
[M]- 287.07993 166.5
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

No patent data available for this compound.