CID 213345

Trifluoperazine methiodide

Structural Information

Molecular Formula
C22H27F3N3S
SMILES
C[N+]1(CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)C
InChI
InChI=1S/C22H27F3N3S/c1-28(2)14-12-26(13-15-28)10-5-11-27-18-6-3-4-7-20(18)29-21-9-8-17(16-19(21)27)22(23,24)25/h3-4,6-9,16H,5,10-15H2,1-2H3/q+1
InChIKey
ZTNSZUIARUAQLQ-UHFFFAOYSA-N
Compound name
10-[3-(4,4-dimethylpiperazin-4-ium-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.18777 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19505 198.3
[M+Na]+ 445.17699 204.9
[M-H]- 421.18049 197.2
[M+NH4]+ 440.22159 208.6
[M+K]+ 461.15093 191.3
[M+H-H2O]+ 405.18503 187.5
[M+HCOO]- 467.18597 199.5
[M+CH3COO]- 481.20162 219.3
[M+Na-2H]- 443.16244 201.7
[M]+ 422.18722 192.0
[M]- 422.18832 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.