CID 57351

Brn 0843949

Structural Information

Molecular Formula
C22H26N2OS
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCCCC4
InChI
InChI=1S/C22H26N2OS/c1-17(25)18-10-11-22-20(16-18)24(19-8-3-4-9-21(19)26-22)15-7-14-23-12-5-2-6-13-23/h3-4,8-11,16H,2,5-7,12-15H2,1H3
InChIKey
GWBQZRANYHTFJK-UHFFFAOYSA-N
Compound name
1-[10-(3-piperidin-1-ylpropyl)phenothiazin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.17657 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.18385 186.4
[M+Na]+ 389.16579 200.3
[M+NH4]+ 384.21039 195.7
[M+K]+ 405.13973 188.9
[M-H]- 365.16929 191.5
[M+Na-2H]- 387.15124 192.6
[M]+ 366.17602 190.4
[M]- 366.17712 190.4
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.