CID 101650227

Ns00117101

Structural Information

Molecular Formula
C20H23F3N2OS
SMILES
CN(C)CCCCCN1C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H23F3N2OS/c1-24(2)12-6-3-7-13-25-16-8-4-5-9-18(16)27(26)19-11-10-15(14-17(19)25)20(21,22)23/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKey
GRTMVBFSTRAPKU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-[5-oxo-2-(trifluoromethyl)phenothiazin-10-yl]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.14832 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15560 191.1
[M+Na]+ 419.13754 199.0
[M-H]- 395.14104 191.7
[M+NH4]+ 414.18214 204.3
[M+K]+ 435.11148 192.8
[M+H-H2O]+ 379.14558 180.1
[M+HCOO]- 441.14652 200.6
[M+CH3COO]- 455.16217 227.7
[M+Na-2H]- 417.12299 192.6
[M]+ 396.14777 192.7
[M]- 396.14887 192.7
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.