CID 34317

Ketone, 2-chlorophenothiazin-10-yl 2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl, dihydrochloride

Structural Information

Molecular Formula
C21H24ClN3O2S
SMILES
C1CN(CCN1CCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO
InChI
InChI=1S/C21H24ClN3O2S/c22-16-5-6-20-18(15-16)25(17-3-1-2-4-19(17)28-20)21(27)7-8-23-9-11-24(12-10-23)13-14-26/h1-6,15,26H,7-14H2
InChIKey
DYAAVBNWWMJKGQ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenothiazin-10-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.12778 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.13506 194.3
[M+Na]+ 440.11700 200.1
[M-H]- 416.12050 195.6
[M+NH4]+ 435.16160 203.0
[M+K]+ 456.09094 192.4
[M+H-H2O]+ 400.12504 184.8
[M+HCOO]- 462.12598 194.7
[M+CH3COO]- 476.14163 200.6
[M+Na-2H]- 438.10245 194.5
[M]+ 417.12723 194.8
[M]- 417.12833 194.8
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.