CID 213549

Perphenazine dimethiodide

Structural Information

Molecular Formula
C23H32ClN3OS
SMILES
C[N+]1(CC[N+](CC1)(C)CCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C23H32ClN3OS/c1-26(12-14-27(2,15-13-26)16-17-28)11-5-10-25-20-6-3-4-7-22(20)29-23-9-8-19(24)18-21(23)25/h3-4,6-9,18,28H,5,10-17H2,1-2H3/q+2
InChIKey
JHARLDHKTVDEEO-UHFFFAOYSA-N
Compound name
2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]-1,4-dimethylpiperazine-1,4-diium-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.19547 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.20275 196.1
[M+Na]+ 456.18469 201.5
[M-H]- 432.18819 197.3
[M+NH4]+ 451.22929 207.6
[M+K]+ 472.15863 182.9
[M+H-H2O]+ 416.19273 191.0
[M+HCOO]- 478.19367 195.4
[M+CH3COO]- 492.20932 211.3
[M+Na-2H]- 454.17014 202.7
[M]+ 433.19492 193.9
[M]- 433.19602 193.9
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.