CID 203093

13805-49-7

Structural Information

Molecular Formula
C28H36N4O2S
SMILES
CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)(C(=O)N)N5CCCCC5
InChI
InChI=1S/C28H36N4O2S/c1-21(33)22-10-11-26-24(20-22)32(23-8-3-4-9-25(23)35-26)17-7-14-30-18-12-28(13-19-30,27(29)34)31-15-5-2-6-16-31/h3-4,8-11,20H,2,5-7,12-19H2,1H3,(H2,29,34)
InChIKey
ZEJKBQFCDXFIQO-UHFFFAOYSA-N
Compound name
1-[3-(2-acetylphenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.2559 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.26318 216.8
[M+Na]+ 515.24512 217.3
[M-H]- 491.24862 219.6
[M+NH4]+ 510.28972 222.1
[M+K]+ 531.21906 210.4
[M+H-H2O]+ 475.25316 204.3
[M+HCOO]- 537.25410 217.2
[M+CH3COO]- 551.26975 219.7
[M+Na-2H]- 513.23057 214.4
[M]+ 492.25535 209.8
[M]- 492.25645 209.8
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.