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]+ 493.263176 216.8
[M+Na]+ 515.245118 217.3
[M-H]- 491.248624 219.6
[M+NH4]+ 510.289723 222.1
[M+K]+ 531.219058 210.4
[M+H-H2O]+ 475.253160 204.3
[M+HCOO]- 537.254101 217.2
[M+CH3COO]- 551.269751 219.7
[M+Na-2H]- 513.230566 214.4
[M]+ 492.25535142 209.8
[M]- 492.25644858 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.