CID 5465760

Nsc660810

Structural Information

Molecular Formula
C15H13NO3
SMILES
CC1=C2C(=CC=C1)N(C3=C(C2=O)C(=CC(=C3)O)O)C
InChI
InChI=1S/C15H13NO3/c1-8-4-3-5-10-13(8)15(19)14-11(16(10)2)6-9(17)7-12(14)18/h3-7,17-18H,1-2H3
InChIKey
GGXKYBVJXLRZBH-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-8,10-dimethylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.08954 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.096816 154.6
[M+Na]+ 278.078758 167.8
[M-H]- 254.082264 158.0
[M+NH4]+ 273.123363 172.2
[M+K]+ 294.052698 162.3
[M+H-H2O]+ 238.086800 147.9
[M+HCOO]- 300.087741 174.4
[M+CH3COO]- 314.103391 167.8
[M+Na-2H]- 276.064206 161.7
[M]+ 255.08899142 158.4
[M]- 255.09008858 158.4
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.