CID 3078035

Brn 4887446

Structural Information

Molecular Formula
C20H14N2O4S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC4=CC=CC(=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H14N2O4S/c23-20(13-26-15-7-5-6-14(12-15)22(24)25)21-16-8-1-3-10-18(16)27-19-11-4-2-9-17(19)21/h1-12H,13H2
InChIKey
AATLZPBHDMAZLG-UHFFFAOYSA-N
Compound name
2-(3-nitrophenoxy)-1-phenothiazin-10-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.0674 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07468 179.2
[M+Na]+ 401.05662 195.1
[M+NH4]+ 396.10122 187.9
[M+K]+ 417.03056 187.5
[M-H]- 377.06012 185.7
[M+Na-2H]- 399.04207 187.7
[M]+ 378.06685 183.8
[M]- 378.06795 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.