CID 201312

5798-15-2

Structural Information

Molecular Formula
C23H26F3N3S
SMILES
CN1CC2CCC(C1)N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F
InChI
InChI=1S/C23H26F3N3S/c1-27-14-17-8-9-18(15-27)28(17)11-4-12-29-19-5-2-3-6-21(19)30-22-10-7-16(13-20(22)29)23(24,25)26/h2-3,5-7,10,13,17-18H,4,8-9,11-12,14-15H2,1H3
InChIKey
DSMPIYVFPUSYCS-UHFFFAOYSA-N
Compound name
10-[3-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)propyl]-2-(trifluoromethyl)phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.17996 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.18724 204.0
[M+Na]+ 456.16918 211.3
[M-H]- 432.17268 202.5
[M+NH4]+ 451.21378 215.7
[M+K]+ 472.14312 202.8
[M+H-H2O]+ 416.17722 192.1
[M+HCOO]- 478.17816 204.5
[M+CH3COO]- 492.19381 209.7
[M+Na-2H]- 454.15463 202.2
[M]+ 433.17941 200.6
[M]- 433.18051 200.6
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.