CID 2401625

10-((4-nitrophenoxy)acetyl)-10h-phenothiazine

Structural Information

Molecular Formula
C20H14N2O4S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H14N2O4S/c23-20(13-26-15-11-9-14(10-12-15)22(24)25)21-16-5-1-3-7-18(16)27-19-8-4-2-6-17(19)21/h1-12H,13H2
InChIKey
UTHCEBFJXVQICL-UHFFFAOYSA-N
Compound name
2-(4-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 182.8
[M+Na]+ 401.05662 188.0
[M-H]- 377.06012 189.1
[M+NH4]+ 396.10122 193.8
[M+K]+ 417.03056 178.7
[M+H-H2O]+ 361.06466 177.4
[M+HCOO]- 423.06560 197.0
[M+CH3COO]- 437.08125 210.7
[M+Na-2H]- 399.04207 189.6
[M]+ 378.06685 183.2
[M]- 378.06795 183.2
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.