CID 10468408

Pummeline

Structural Information

Molecular Formula
C15H13NO4
SMILES
CN1C2=C(C=CC(=C2)O)C(=O)C3=C1C=C(C=C3O)OC
InChI
InChI=1S/C15H13NO4/c1-16-11-5-8(17)3-4-10(11)15(19)14-12(16)6-9(20-2)7-13(14)18/h3-7,17-18H,1-2H3
InChIKey
ULFQWNWPHHCZAJ-UHFFFAOYSA-N
Compound name
1,6-dihydroxy-3-methoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 157.6
[M+Na]+ 294.07369 170.6
[M-H]- 270.07719 161.0
[M+NH4]+ 289.11829 174.5
[M+K]+ 310.04763 165.9
[M+H-H2O]+ 254.08173 150.6
[M+HCOO]- 316.08267 177.6
[M+CH3COO]- 330.09832 197.2
[M+Na-2H]- 292.05914 164.9
[M]+ 271.08392 162.9
[M]- 271.08502 162.9
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.