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 192.0
[M+Na]+ 423.12682 199.2
[M-H]- 399.13032 194.5
[M+NH4]+ 418.17142 206.7
[M+K]+ 439.10076 191.0
[M+H-H2O]+ 383.13486 184.3
[M+HCOO]- 445.13580 193.1
[M+CH3COO]- 459.15145 199.5
[M+Na-2H]- 421.11227 191.4
[M]+ 400.13705 193.1
[M]- 400.13815 193.1
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