CID 129318741

2731709-59-2

Structural Information

Molecular Formula
C18H22N2O3S
SMILES
CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)C[N+](C)(C)[O-]
InChI
InChI=1S/C18H22N2O3S/c1-14(13-20(2,3)21)12-19-15-8-4-6-10-17(15)24(22,23)18-11-7-5-9-16(18)19/h4-11,14H,12-13H2,1-3H3
InChIKey
WEBKISOKFNYDNR-UHFFFAOYSA-N
Compound name
3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1351 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14238 175.4
[M+Na]+ 369.12432 189.6
[M+NH4]+ 364.16892 185.4
[M+K]+ 385.09826 180.7
[M-H]- 345.12782 179.2
[M+Na-2H]- 367.10977 182.6
[M]+ 346.13455 179.2
[M]- 346.13565 179.2
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.