CID 5465791

Nsc662137

Structural Information

Molecular Formula
C14H11NO3
SMILES
CC1=C2C(=CC=C1)C(=O)C3=C(N2)C=C(C=C3O)O
InChI
InChI=1S/C14H11NO3/c1-7-3-2-4-9-13(7)15-10-5-8(16)6-11(17)12(10)14(9)18/h2-6,16-17H,1H3,(H,15,18)
InChIKey
NBPXZTCJIOEPOU-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-5-methyl-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

241.0739 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08118 150.1
[M+Na]+ 264.06312 162.5
[M-H]- 240.06662 152.0
[M+NH4]+ 259.10772 167.3
[M+K]+ 280.03706 156.3
[M+H-H2O]+ 224.07116 143.8
[M+HCOO]- 286.07210 168.9
[M+CH3COO]- 300.08775 162.8
[M+Na-2H]- 262.04857 158.1
[M]+ 241.07335 151.4
[M]- 241.07445 151.4
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

patents stripe