CID 213454

4-piperidinol, 1-(3-(2-chlorophenothiazin-10-yl)propyl)-4-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C26H27ClN2OS
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C26H27ClN2OS/c27-21-11-12-25-23(19-21)29(22-9-4-5-10-24(22)31-25)16-6-15-28-17-13-26(30,14-18-28)20-7-2-1-3-8-20/h1-5,7-12,19,30H,6,13-18H2
InChIKey
OXIDJDSURKBANK-UHFFFAOYSA-N
Compound name
1-[3-(2-chlorophenothiazin-10-yl)propyl]-4-phenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.15326 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.16054 204.9
[M+Na]+ 473.14248 211.2
[M-H]- 449.14598 210.2
[M+NH4]+ 468.18708 215.1
[M+K]+ 489.11642 201.9
[M+H-H2O]+ 433.15052 193.6
[M+HCOO]- 495.15146 207.0
[M+CH3COO]- 509.16711 211.2
[M+Na-2H]- 471.12793 206.7
[M]+ 450.15271 204.1
[M]- 450.15381 204.1
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.