CID 375866

9(10h)-acridinone, 1,3-bis(acetyloxy)-

Structural Information

Molecular Formula
C17H13NO5
SMILES
CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=CC=CC=C3N2
InChI
InChI=1S/C17H13NO5/c1-9(19)22-11-7-14-16(15(8-11)23-10(2)20)17(21)12-5-3-4-6-13(12)18-14/h3-8H,1-2H3,(H,18,21)
InChIKey
AJETWHCOUWPXNO-UHFFFAOYSA-N
Compound name
(1-acetyloxy-9-oxo-10H-acridin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.07938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08666 166.6
[M+Na]+ 334.06860 177.1
[M-H]- 310.07210 170.4
[M+NH4]+ 329.11320 181.5
[M+K]+ 350.04254 173.3
[M+H-H2O]+ 294.07664 158.8
[M+HCOO]- 356.07758 186.0
[M+CH3COO]- 370.09323 204.1
[M+Na-2H]- 332.05405 172.6
[M]+ 311.07883 172.1
[M]- 311.07993 172.1
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.