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]+ 256.09682 154.6
[M+Na]+ 278.07876 167.8
[M-H]- 254.08226 158.0
[M+NH4]+ 273.12336 172.2
[M+K]+ 294.05270 162.3
[M+H-H2O]+ 238.08680 147.9
[M+HCOO]- 300.08774 174.4
[M+CH3COO]- 314.10339 167.8
[M+Na-2H]- 276.06421 161.7
[M]+ 255.08899 158.4
[M]- 255.09009 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.