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

literature stripe

Patent stripe

patents stripe