CID 72725

2-amino-3h-phenoxazin-3-one

Structural Information

Molecular Formula
C12H8N2O2
SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N
InChI
InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2
InChIKey
RDJXPXHQENRCNG-UHFFFAOYSA-N
Compound name
2-aminophenoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

79
References

164
Patents

212.05858 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06586 141.6
[M+Na]+ 235.04780 152.9
[M-H]- 211.05130 146.9
[M+NH4]+ 230.09240 159.6
[M+K]+ 251.02174 149.7
[M+H-H2O]+ 195.05584 134.2
[M+HCOO]- 257.05678 163.6
[M+CH3COO]- 271.07243 155.5
[M+Na-2H]- 233.03325 152.6
[M]+ 212.05803 143.0
[M]- 212.05913 143.0
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

patents stripe