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 206.7
[M+Na]+ 484.17959 210.6
[M-H]- 460.18309 207.2
[M+NH4]+ 479.22419 213.5
[M+K]+ 500.15353 202.9
[M+H-H2O]+ 444.18763 196.4
[M+HCOO]- 506.18857 205.8
[M+CH3COO]- 520.20422 211.5
[M+Na-2H]- 482.16504 205.5
[M]+ 461.18982 208.7
[M]- 461.19092 208.7
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.