CID 99045

19142-68-8

Structural Information

Molecular Formula
C24H32ClN3O2S
SMILES
CC(CN1CCN(CC1)CCOCCO)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C24H32ClN3O2S/c1-19(17-27-10-8-26(9-11-27)12-14-30-15-13-29)18-28-21-4-2-3-5-23(21)31-24-7-6-20(25)16-22(24)28/h2-7,16,19,29H,8-15,17-18H2,1H3
InChIKey
CSJGNRAVTRAKFB-UHFFFAOYSA-N
Compound name
2-[2-[4-[3-(2-chlorophenothiazin-10-yl)-2-methylpropyl]piperazin-1-yl]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

461.19037 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.19765 209.6
[M+Na]+ 484.17959 223.0
[M+NH4]+ 479.22419 217.3
[M+K]+ 500.15353 211.6
[M-H]- 460.18309 213.2
[M+Na-2H]- 482.16504 213.7
[M]+ 461.18982 213.3
[M]- 461.19092 213.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.