CID 26284

13805-48-6

Structural Information

Molecular Formula
C27H36N4OS
SMILES
CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)(C(=O)N)N5CCCCC5
InChI
InChI=1S/C27H36N4OS/c1-21-10-11-25-23(20-21)31(22-8-3-4-9-24(22)33-25)17-7-14-29-18-12-27(13-19-29,26(28)32)30-15-5-2-6-16-30/h3-4,8-11,20H,2,5-7,12-19H2,1H3,(H2,28,32)
InChIKey
MESFQLQUAPHQAZ-UHFFFAOYSA-N
Compound name
1-[3-(2-methylphenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.261 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.26828 211.1
[M+Na]+ 487.25022 212.6
[M-H]- 463.25372 214.2
[M+NH4]+ 482.29482 217.9
[M+K]+ 503.22416 204.9
[M+H-H2O]+ 447.25826 198.4
[M+HCOO]- 509.25920 212.6
[M+CH3COO]- 523.27485 214.7
[M+Na-2H]- 485.23567 209.6
[M]+ 464.26045 203.7
[M]- 464.26155 203.7
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.