CID 3086869

4-(1-(5-chloro-2-((2-chlorophenyl)thio)phenyl)ethyl)-1-piperazineethanol bismaleate

Structural Information

Molecular Formula
C20H24Cl2N2OS
SMILES
CC(C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2Cl)N3CCN(CC3)CCO
InChI
InChI=1S/C20H24Cl2N2OS/c1-15(24-10-8-23(9-11-24)12-13-25)17-14-16(21)6-7-19(17)26-20-5-3-2-4-18(20)22/h2-7,14-15,25H,8-13H2,1H3
InChIKey
ZTIMLLYNKOTZIH-UHFFFAOYSA-N
Compound name
2-[4-[1-[5-chloro-2-(2-chlorophenyl)sulfanylphenyl]ethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.09863 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10591 190.5
[M+Na]+ 433.08785 196.7
[M-H]- 409.09135 194.6
[M+NH4]+ 428.13245 199.7
[M+K]+ 449.06179 188.4
[M+H-H2O]+ 393.09589 182.0
[M+HCOO]- 455.09683 190.6
[M+CH3COO]- 469.11248 197.8
[M+Na-2H]- 431.07330 187.3
[M]+ 410.09808 192.0
[M]- 410.09918 192.0
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

patents stripe