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 190.9
[M-H]- 365.16929 190.0
[M+NH4]+ 384.21039 198.1
[M+K]+ 405.13973 184.2
[M+H-H2O]+ 349.17383 176.3
[M+HCOO]- 411.17477 193.6
[M+CH3COO]- 425.19042 193.8
[M+Na-2H]- 387.15124 187.1
[M]+ 366.17602 184.5
[M]- 366.17712 184.5
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