CID 205228

3-quinuclidinyl phenothiazine-10-carboxylate

Structural Information

Molecular Formula
C20H20N2O2S
SMILES
C1CN2CCC1C(C2)OC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C20H20N2O2S/c23-20(24-17-13-21-11-9-14(17)10-12-21)22-15-5-1-3-7-18(15)25-19-8-4-2-6-16(19)22/h1-8,14,17H,9-13H2
InChIKey
UBNXMDIGLOZCMS-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl phenothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.12454 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13182 174.5
[M+Na]+ 375.11376 187.7
[M+NH4]+ 370.15836 185.9
[M+K]+ 391.08770 176.8
[M-H]- 351.11726 175.9
[M+Na-2H]- 373.09921 175.0
[M]+ 352.12399 177.4
[M]- 352.12509 177.4
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.