CID 487197

10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-5,5-dioxid

Structural Information

Molecular Formula
C18H21ClN2O2S
SMILES
CC(CN1C2=CC=CC=C2S(=O)(=O)C3=C1C=C(C=C3)Cl)CN(C)C
InChI
InChI=1S/C18H21ClN2O2S/c1-13(11-20(2)3)12-21-15-6-4-5-7-17(15)24(22,23)18-9-8-14(19)10-16(18)21/h4-10,13H,11-12H2,1-3H3
InChIKey
CEURBITVFSSVSM-UHFFFAOYSA-N
Compound name
3-(2-chloro-5,5-dioxophenothiazin-10-yl)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.10123 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10851 178.5
[M+Na]+ 387.09045 188.1
[M-H]- 363.09395 183.7
[M+NH4]+ 382.13505 195.9
[M+K]+ 403.06439 182.8
[M+H-H2O]+ 347.09849 171.9
[M+HCOO]- 409.09943 188.4
[M+CH3COO]- 423.11508 219.5
[M+Na-2H]- 385.07590 182.2
[M]+ 364.10068 186.0
[M]- 364.10178 186.0
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

No patent data available for this compound.