CID 5496201

1,3,7-trihydroxy-10h-acridin-9-one

Structural Information

Molecular Formula
C13H9NO4
SMILES
C1=CC2=C(C=C1O)C(=O)C3=C(N2)C=C(C=C3O)O
InChI
InChI=1S/C13H9NO4/c15-6-1-2-9-8(3-6)13(18)12-10(14-9)4-7(16)5-11(12)17/h1-5,15-17H,(H,14,18)
InChIKey
ZNICVLQYUJJRMP-UHFFFAOYSA-N
Compound name
1,3,7-trihydroxy-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

243.05316 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06044 148.8
[M+Na]+ 266.04238 161.0
[M-H]- 242.04588 149.5
[M+NH4]+ 261.08698 165.1
[M+K]+ 282.01632 154.9
[M+H-H2O]+ 226.05042 142.7
[M+HCOO]- 288.05136 166.5
[M+CH3COO]- 302.06701 161.1
[M+Na-2H]- 264.02783 157.0
[M]+ 243.05261 149.5
[M]- 243.05371 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.