CID 199309

3-chloro-10-(3-(4-p-chlorophenyl-4-hydroxypiperidino)propyl)phenothiazine hydrochloride

Structural Information

Molecular Formula
C26H26Cl2N2OS
SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCN3C4=C(C=C(C=C4)Cl)SC5=CC=CC=C53
InChI
InChI=1S/C26H26Cl2N2OS/c27-20-8-6-19(7-9-20)26(31)12-16-29(17-13-26)14-3-15-30-22-4-1-2-5-24(22)32-25-18-21(28)10-11-23(25)30/h1-2,4-11,18,31H,3,12-17H2
InChIKey
VNCOSJSHZMZGCK-UHFFFAOYSA-N
Compound name
1-[3-(3-chlorophenothiazin-10-yl)propyl]-4-(4-chlorophenyl)piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

484.1143 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.12158 208.9
[M+Na]+ 507.10352 216.2
[M-H]- 483.10702 213.8
[M+NH4]+ 502.14812 218.6
[M+K]+ 523.07746 206.8
[M+H-H2O]+ 467.11156 198.3
[M+HCOO]- 529.11250 206.2
[M+CH3COO]- 543.12815 214.9
[M+Na-2H]- 505.08897 209.5
[M]+ 484.11375 210.0
[M]- 484.11485 210.0
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.