CID 3086863

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

Structural Information

Molecular Formula
C19H22Cl2N2S
SMILES
CC(C1=C(C=CC(=C1)Cl)SC2=CC=C(C=C2)Cl)N3CCN(CC3)C
InChI
InChI=1S/C19H22Cl2N2S/c1-14(23-11-9-22(2)10-12-23)18-13-16(21)5-8-19(18)24-17-6-3-15(20)4-7-17/h3-8,13-14H,9-12H2,1-2H3
InChIKey
MDNIAHLCWIJRER-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-(4-chlorophenyl)sulfanylphenyl]ethyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.08807 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.09535 188.1
[M+Na]+ 403.07729 204.7
[M+NH4]+ 398.12189 197.7
[M+K]+ 419.05123 192.3
[M-H]- 379.08079 194.5
[M+Na-2H]- 401.06274 196.9
[M]+ 380.08752 193.6
[M]- 380.08862 193.6
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.