CID 3074314

156213-25-1

Structural Information

Molecular Formula
C24H25F3N2OS
SMILES
C1CCN2CCC[C@H]([C@H]2C1)CC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F
InChI
InChI=1S/C24H25F3N2OS/c25-24(26,27)17-10-11-22-20(15-17)29(19-8-1-2-9-21(19)31-22)23(30)14-16-6-5-13-28-12-4-3-7-18(16)28/h1-2,8-11,15-16,18H,3-7,12-14H2/t16-,18+/m0/s1
InChIKey
AFWFJJVBHZOUEX-FUHWJXTLSA-N
Compound name
2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.16397 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.17125 203.4
[M+Na]+ 469.15319 207.5
[M-H]- 445.15669 202.9
[M+NH4]+ 464.19779 212.3
[M+K]+ 485.12713 199.5
[M+H-H2O]+ 429.16123 190.2
[M+HCOO]- 491.16217 201.8
[M+CH3COO]- 505.17782 207.7
[M+Na-2H]- 467.13864 202.6
[M]+ 446.16342 194.8
[M]- 446.16452 194.8
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.