CID 5496209

Chembl146540

Structural Information

Molecular Formula
C14H10ClNO3
SMILES
CN1C2=C(C(=CC(=C2)O)O)C(=O)C3=C1C(=CC=C3)Cl
InChI
InChI=1S/C14H10ClNO3/c1-16-10-5-7(17)6-11(18)12(10)14(19)8-3-2-4-9(15)13(8)16/h2-6,17-18H,1H3
InChIKey
AHLKITVRBCBLKV-UHFFFAOYSA-N
Compound name
5-chloro-1,3-dihydroxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.0349 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04218 155.2
[M+Na]+ 298.02412 169.7
[M-H]- 274.02762 158.6
[M+NH4]+ 293.06872 172.9
[M+K]+ 313.99806 163.0
[M+H-H2O]+ 258.03216 149.5
[M+HCOO]- 320.03310 170.9
[M+CH3COO]- 334.04875 168.5
[M+Na-2H]- 296.00957 162.5
[M]+ 275.03435 160.9
[M]- 275.03545 160.9
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.