CID 214578

33492-21-6

Structural Information

Molecular Formula
C24H28F3N3S
SMILES
C1CCN2CCN(CC2C1)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F
InChI
InChI=1S/C24H28F3N3S/c25-24(26,27)18-9-10-23-21(16-18)30(20-7-1-2-8-22(20)31-23)13-5-11-28-14-15-29-12-4-3-6-19(29)17-28/h1-2,7-10,16,19H,3-6,11-15,17H2
InChIKey
PBCZRFOSDDKKFD-UHFFFAOYSA-N
Compound name
10-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propyl]-2-(trifluoromethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.19562 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.20290 205.8
[M+Na]+ 470.18484 210.2
[M-H]- 446.18834 203.9
[M+NH4]+ 465.22944 213.6
[M+K]+ 486.15878 201.2
[M+H-H2O]+ 430.19288 191.5
[M+HCOO]- 492.19382 203.7
[M+CH3COO]- 506.20947 209.6
[M+Na-2H]- 468.17029 205.5
[M]+ 447.19507 197.6
[M]- 447.19617 197.6
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.