CID 17966

2021-89-8

Structural Information

Molecular Formula
C24H28F3N3O2S
SMILES
CC(=O)OCCN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C24H28F3N3O2S/c1-18(31)32-16-15-29-13-11-28(12-14-29)9-4-10-30-20-5-2-3-6-22(20)33-23-8-7-19(17-21(23)30)24(25,26)27/h2-3,5-8,17H,4,9-16H2,1H3
InChIKey
VZXRBTTXAUZWBO-UHFFFAOYSA-N
Compound name
2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.18542 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.19270 209.2
[M+Na]+ 502.17464 217.7
[M+NH4]+ 497.21924 213.4
[M+K]+ 518.14858 209.2
[M-H]- 478.17814 207.3
[M+Na-2H]- 500.16009 210.9
[M]+ 479.18487 210.0
[M]- 479.18597 210.0
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.