CID 26282

13805-43-1

Structural Information

Molecular Formula
C26H33ClN4OS
SMILES
C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)C(=O)N
InChI
InChI=1S/C26H33ClN4OS/c27-20-9-10-24-22(19-20)31(21-7-2-3-8-23(21)33-24)16-6-13-29-17-11-26(12-18-29,25(28)32)30-14-4-1-5-15-30/h2-3,7-10,19H,1,4-6,11-18H2,(H2,28,32)
InChIKey
XDFOYGAEWUXBLN-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenothiazin-10-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.20636 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.21364 211.7
[M+Na]+ 507.19558 214.3
[M-H]- 483.19908 214.9
[M+NH4]+ 502.24018 218.7
[M+K]+ 523.16952 206.0
[M+H-H2O]+ 467.20362 199.7
[M+HCOO]- 529.20456 209.2
[M+CH3COO]- 543.22021 215.5
[M+Na-2H]- 505.18103 210.4
[M]+ 484.20581 206.4
[M]- 484.20691 206.4
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.