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

1
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

patents stripe