CID 370220

Nsc642964

Structural Information

Molecular Formula
C17H9NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C4C(=C3)C=CC=C4O
InChI
InChI=1S/C17H9NO3/c19-13-7-3-4-9-8-12-15(18-14(9)13)17(21)11-6-2-1-5-10(11)16(12)20/h1-8,19H
InChIKey
VCRWCHGPFSJJIG-UHFFFAOYSA-N
Compound name
4-hydroxybenzo[b]acridine-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.05826 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.06554 158.6
[M+Na]+ 298.04748 169.8
[M-H]- 274.05098 163.0
[M+NH4]+ 293.09208 175.9
[M+K]+ 314.02142 163.7
[M+H-H2O]+ 258.05552 150.4
[M+HCOO]- 320.05646 176.1
[M+CH3COO]- 334.07211 170.7
[M+Na-2H]- 296.03293 166.9
[M]+ 275.05771 159.4
[M]- 275.05881 159.4
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.