CID 53744

9-oxo-10-acridineacetic acid

Structural Information

Molecular Formula
C15H12N2O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2CC(=O)N
InChI
InChI=1S/C15H12N2O2/c16-14(18)9-17-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,18)
InChIKey
CEJPYXDXMICXLJ-UHFFFAOYSA-N
Compound name
2-(9-oxoacridin-10-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

201
References

0
Patents

252.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09715 153.6
[M+Na]+ 275.07909 164.2
[M-H]- 251.08259 158.0
[M+NH4]+ 270.12369 171.1
[M+K]+ 291.05303 159.0
[M+H-H2O]+ 235.08713 145.7
[M+HCOO]- 297.08807 176.0
[M+CH3COO]- 311.10372 166.4
[M+Na-2H]- 273.06454 162.1
[M]+ 252.08932 155.3
[M]- 252.09042 155.3
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