CID 426699

2-amino-3h-phenothiazin-3-one

Structural Information

Molecular Formula
C12H8N2OS
SMILES
C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3S2)N
InChI
InChI=1S/C12H8N2OS/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2
InChIKey
KGVTYHSCRSDENW-UHFFFAOYSA-N
Compound name
2-aminophenothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

228.03574 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04302 143.3
[M+Na]+ 251.02496 154.8
[M-H]- 227.02846 147.8
[M+NH4]+ 246.06956 162.7
[M+K]+ 266.99890 149.2
[M+H-H2O]+ 211.03300 136.7
[M+HCOO]- 273.03394 161.0
[M+CH3COO]- 287.04959 156.6
[M+Na-2H]- 249.01041 151.3
[M]+ 228.03519 145.0
[M]- 228.03629 145.0
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