CID 3057219

10(3(4-beta,gamma-dihydroxypropyl-1-piperazinyl)propyl)2-chlorophenothiazine dihydrochloride

Structural Information

Molecular Formula
C22H28ClN3O2S
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CC(CO)O
InChI
InChI=1S/C22H28ClN3O2S/c23-17-6-7-22-20(14-17)26(19-4-1-2-5-21(19)29-22)9-3-8-24-10-12-25(13-11-24)15-18(28)16-27/h1-2,4-7,14,18,27-28H,3,8-13,15-16H2
InChIKey
UNZKFMIZBKFWAM-UHFFFAOYSA-N
Compound name
3-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1591 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16638 200.9
[M+Na]+ 456.14832 214.2
[M+NH4]+ 451.19292 208.6
[M+K]+ 472.12226 203.5
[M-H]- 432.15182 204.1
[M+Na-2H]- 454.13377 204.9
[M]+ 433.15855 204.4
[M]- 433.15965 204.4
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.