CID 3272908

10-phenylphenothiazine-5-oxide

Structural Information

Molecular Formula
C18H13NOS
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)C4=CC=CC=C42
InChI
InChI=1S/C18H13NOS/c20-21-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)21/h1-13H
InChIKey
JFDZDXBCWUUFJA-UHFFFAOYSA-N
Compound name
10-phenylphenothiazine 5-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.07178 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07906 162.6
[M+Na]+ 314.06100 172.7
[M-H]- 290.06450 169.9
[M+NH4]+ 309.10560 179.3
[M+K]+ 330.03494 165.9
[M+H-H2O]+ 274.06904 154.2
[M+HCOO]- 336.06998 178.0
[M+CH3COO]- 350.08563 174.5
[M+Na-2H]- 312.04645 169.2
[M]+ 291.07123 163.8
[M]- 291.07233 163.8
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

No patent data available for this compound.