CID 24849078

N-hydroxy-3-aminobenzanthrone

Structural Information

Molecular Formula
C17H11NO2
SMILES
C1=CC=C2C(=C1)C3=C4C(=C(C=C3)NO)C=CC=C4C2=O
InChI
InChI=1S/C17H11NO2/c19-17-12-5-2-1-4-10(12)11-8-9-15(18-20)13-6-3-7-14(17)16(11)13/h1-9,18,20H
InChIKey
WCPKDLWOWHLXNO-UHFFFAOYSA-N
Compound name
3-(hydroxyamino)benzo[b]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

261.07898 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08626 155.8
[M+Na]+ 284.06820 172.0
[M+NH4]+ 279.11280 166.4
[M+K]+ 300.04214 162.9
[M-H]- 260.07170 160.7
[M+Na-2H]- 282.05365 162.8
[M]+ 261.07843 159.7
[M]- 261.07953 159.7
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.