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 154.1
[M+Na]+ 284.06820 163.5
[M-H]- 260.07170 158.9
[M+NH4]+ 279.11280 173.4
[M+K]+ 300.04214 157.7
[M+H-H2O]+ 244.07624 146.8
[M+HCOO]- 306.07718 173.9
[M+CH3COO]- 320.09283 166.3
[M+Na-2H]- 282.05365 164.2
[M]+ 261.07843 154.6
[M]- 261.07953 154.6
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.