CID 13167997

1-(5-chloro-2-(2-methylphenylthio)benzyl)-4-methylpiperazine bis(hydrogen maleate)

Structural Information

Molecular Formula
C19H23ClN2S
SMILES
CC1=CC=CC=C1SC2=C(C=C(C=C2)Cl)CN3CCN(CC3)C
InChI
InChI=1S/C19H23ClN2S/c1-15-5-3-4-6-18(15)23-19-8-7-17(20)13-16(19)14-22-11-9-21(2)10-12-22/h3-8,13H,9-12,14H2,1-2H3
InChIKey
XFZZNLWHTZDKEL-UHFFFAOYSA-N
Compound name
1-[[5-chloro-2-(2-methylphenyl)sulfanylphenyl]methyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.12704 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13432 181.7
[M+Na]+ 369.11626 198.2
[M+NH4]+ 364.16086 191.5
[M+K]+ 385.09020 185.7
[M-H]- 345.11976 188.6
[M+Na-2H]- 367.10171 191.1
[M]+ 346.12649 187.1
[M]- 346.12759 187.1
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.