CID 19396

Oxomemazine

Structural Information

Molecular Formula
C18H22N2O2S
SMILES
CC(CN1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31)CN(C)C
InChI
InChI=1S/C18H22N2O2S/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)23(21,22)18-11-7-5-9-16(18)20/h4-11,14H,12-13H2,1-3H3
InChIKey
QTQPVLDZQVPLGV-UHFFFAOYSA-N
Compound name
3-(5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

15
References

957
Patents

330.1402 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14748 174.4
[M+Na]+ 353.12942 187.6
[M+NH4]+ 348.17402 184.5
[M+K]+ 369.10336 176.3
[M-H]- 329.13292 177.9
[M+Na-2H]- 351.11487 181.6
[M]+ 330.13965 178.0
[M]- 330.14075 178.0
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