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 175.7
[M+Na]+ 369.12432 182.7
[M-H]- 345.12782 179.2
[M+NH4]+ 364.16892 191.5
[M+K]+ 385.09826 173.6
[M+H-H2O]+ 329.13236 172.8
[M+HCOO]- 391.13330 188.4
[M+CH3COO]- 405.14895 206.1
[M+Na-2H]- 367.10977 184.3
[M]+ 346.13455 177.1
[M]- 346.13565 177.1
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.