CID 5496202

1,7-dihydroxy-3-methoxy-10h-acridin-9-one

Structural Information

Molecular Formula
C14H11NO4
SMILES
COC1=CC2=C(C(=C1)O)C(=O)C3=C(N2)C=CC(=C3)O
InChI
InChI=1S/C14H11NO4/c1-19-8-5-11-13(12(17)6-8)14(18)9-4-7(16)2-3-10(9)15-11/h2-6,16-17H,1H3,(H,15,18)
InChIKey
QAQLHTRJZLJDME-UHFFFAOYSA-N
Compound name
1,7-dihydroxy-3-methoxy-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

257.06882 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07610 153.1
[M+Na]+ 280.05804 165.2
[M-H]- 256.06154 154.9
[M+NH4]+ 275.10264 169.5
[M+K]+ 296.03198 159.7
[M+H-H2O]+ 240.06608 146.4
[M+HCOO]- 302.06702 171.9
[M+CH3COO]- 316.08267 165.5
[M+Na-2H]- 278.04349 161.2
[M]+ 257.06827 155.8
[M]- 257.06937 155.8
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