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

8
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]+ 401.144876 192.0
[M+Na]+ 423.126818 199.2
[M-H]- 399.130324 194.5
[M+NH4]+ 418.171423 206.7
[M+K]+ 439.100758 191.0
[M+H-H2O]+ 383.134860 184.3
[M+HCOO]- 445.135801 193.1
[M+CH3COO]- 459.151451 199.5
[M+Na-2H]- 421.112266 191.4
[M]+ 400.13705142 193.1
[M]- 400.13814858 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