CID 5496208

Chembl359387

Structural Information

Molecular Formula
C15H12ClNO3
SMILES
CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C(=CC=C3)Cl
InChI
InChI=1S/C15H12ClNO3/c1-17-11-6-8(20-2)7-12(18)13(11)15(19)9-4-3-5-10(16)14(9)17/h3-7,18H,1-2H3
InChIKey
WIOACTBZYKLOBS-UHFFFAOYSA-N
Compound name
5-chloro-1-hydroxy-3-methoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.05057 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05785 159.7
[M+Na]+ 312.03979 174.1
[M-H]- 288.04329 164.2
[M+NH4]+ 307.08439 177.5
[M+K]+ 328.01373 168.0
[M+H-H2O]+ 272.04783 153.3
[M+HCOO]- 334.04877 176.5
[M+CH3COO]- 348.06442 173.2
[M+Na-2H]- 310.02524 166.8
[M]+ 289.05002 167.5
[M]- 289.05112 167.5
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

No patent data available for this compound.