CID 154699523

Ns00117286

Structural Information

Molecular Formula
C18H13NO2
SMILES
C1C=C2C=C3C(=CC2=CC1=O)C=CC4=C3C=C(C=C4)NO
InChI
InChI=1S/C18H13NO2/c20-16-6-4-12-9-17-13(7-14(12)8-16)2-1-11-3-5-15(19-21)10-18(11)17/h1-5,7-10,19,21H,6H2
InChIKey
BYBSBXPRYXNOPV-UHFFFAOYSA-N
Compound name
2-(hydroxyamino)-10H-benzo[a]anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.09464 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10192 157.2
[M+Na]+ 298.08386 168.2
[M-H]- 274.08736 163.2
[M+NH4]+ 293.12846 175.7
[M+K]+ 314.05780 161.7
[M+H-H2O]+ 258.09190 149.6
[M+HCOO]- 320.09284 179.3
[M+CH3COO]- 334.10849 170.0
[M+Na-2H]- 296.06931 168.2
[M]+ 275.09409 159.0
[M]- 275.09519 159.0
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.