CID 119220

7-methoxy-3h-phenoxazin-3-one

Structural Information

Molecular Formula
C13H9NO3
SMILES
COC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2
InChI
InChI=1S/C13H9NO3/c1-16-9-3-5-11-13(7-9)17-12-6-8(15)2-4-10(12)14-11/h2-7H,1H3
InChIKey
KNYYMGDYROYBRE-UHFFFAOYSA-N
Compound name
7-methoxyphenoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

63
References

237
Patents

227.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06552 144.6
[M+Na]+ 250.04746 156.2
[M-H]- 226.05096 150.3
[M+NH4]+ 245.09206 162.5
[M+K]+ 266.02140 153.8
[M+H-H2O]+ 210.05550 137.0
[M+HCOO]- 272.05644 166.1
[M+CH3COO]- 286.07209 158.7
[M+Na-2H]- 248.03291 155.7
[M]+ 227.05769 149.3
[M]- 227.05879 149.3
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