CID 3086861

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

Structural Information

Molecular Formula
C19H22Cl2N2S
SMILES
CC(C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2Cl)N3CCN(CC3)C
InChI
InChI=1S/C19H22Cl2N2S/c1-14(23-11-9-22(2)10-12-23)16-13-15(20)7-8-18(16)24-19-6-4-3-5-17(19)21/h3-8,13-14H,9-12H2,1-2H3
InChIKey
QWTRVSNKAYGDCK-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-(2-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 184.1
[M+Na]+ 403.07729 191.4
[M-H]- 379.08079 189.7
[M+NH4]+ 398.12189 195.3
[M+K]+ 419.05123 183.5
[M+H-H2O]+ 363.08533 175.3
[M+HCOO]- 425.08627 185.6
[M+CH3COO]- 439.10192 192.6
[M+Na-2H]- 401.06274 181.4
[M]+ 380.08752 185.6
[M]- 380.08862 185.6
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.