CID 35940

Brn 0851436

Structural Information

Molecular Formula
C23H28N2O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)OC
InChI
InChI=1S/C23H28N2O2S/c1-17(26)18-8-9-23-21(16-18)25(20-6-3-4-7-22(20)28-23)13-5-12-24-14-10-19(27-2)11-15-24/h3-4,6-9,16,19H,5,10-15H2,1-2H3
InChIKey
JCDADBBKUHSPFI-UHFFFAOYSA-N
Compound name
1-[10-[3-(4-methoxypiperidin-1-yl)propyl]phenothiazin-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.18716 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19444 194.3
[M+Na]+ 419.17638 207.9
[M+NH4]+ 414.22098 202.9
[M+K]+ 435.15032 196.9
[M-H]- 395.17988 199.0
[M+Na-2H]- 417.16183 199.6
[M]+ 396.18661 198.1
[M]- 396.18771 198.1
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

No patent data available for this compound.