CID 101650225

Ns00117100

Structural Information

Molecular Formula
C20H23F3N2OS
SMILES
C[N+](C)(CCCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F)[O-]
InChI
InChI=1S/C20H23F3N2OS/c1-25(2,26)13-7-3-6-12-24-16-8-4-5-9-18(16)27-19-11-10-15(14-17(19)24)20(21,22)23/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKey
NBPRPUCNHGYVEJ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-[2-(trifluoromethyl)phenothiazin-10-yl]pentan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.14832 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.155596 187.8
[M+Na]+ 419.137538 193.9
[M-H]- 395.141044 186.8
[M+NH4]+ 414.182143 199.9
[M+K]+ 435.111478 182.6
[M+H-H2O]+ 379.145580 181.7
[M+HCOO]- 441.146521 195.6
[M+CH3COO]- 455.162171 217.4
[M+Na-2H]- 417.122986 194.1
[M]+ 396.14777142 185.0
[M]- 396.14886858 185.0
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.