CID 246379

73805-93-3

Structural Information

Molecular Formula
C22H25ClN2OS
SMILES
C1CC2CC(CC1N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O
InChI
InChI=1S/C22H25ClN2OS/c23-15-6-9-22-20(12-15)25(19-4-1-2-5-21(19)27-22)11-3-10-24-16-7-8-17(24)14-18(26)13-16/h1-2,4-6,9,12,16-18,26H,3,7-8,10-11,13-14H2
InChIKey
FVXMKGRYMOKOFX-UHFFFAOYSA-N
Compound name
8-[3-(2-chlorophenothiazin-10-yl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

400.1376 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14488 192.4
[M+Na]+ 423.12682 206.7
[M+NH4]+ 418.17142 203.0
[M+K]+ 439.10076 196.1
[M-H]- 399.13032 196.8
[M+Na-2H]- 421.11227 195.4
[M]+ 400.13705 196.6
[M]- 400.13815 196.6
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

patents stripe