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]+ 397.15560 187.8
[M+Na]+ 419.13754 193.9
[M-H]- 395.14104 186.8
[M+NH4]+ 414.18214 199.9
[M+K]+ 435.11148 182.6
[M+H-H2O]+ 379.14558 181.7
[M+HCOO]- 441.14652 195.6
[M+CH3COO]- 455.16217 217.4
[M+Na-2H]- 417.12299 194.1
[M]+ 396.14777 185.0
[M]- 396.14887 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.