CID 13167992

1-(2-(4-chlorophenylthio)benzoyl)-4-methylpiperazine hydrogen maleate

Structural Information

Molecular Formula
C18H19ClN2OS
SMILES
CN1CCN(CC1)C(=O)C2=CC=CC=C2SC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H19ClN2OS/c1-20-10-12-21(13-11-20)18(22)16-4-2-3-5-17(16)23-15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3
InChIKey
SSFAZQDLZDHCOO-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09067 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09795 178.3
[M+Na]+ 369.07989 185.3
[M-H]- 345.08339 184.6
[M+NH4]+ 364.12449 190.0
[M+K]+ 385.05383 178.3
[M+H-H2O]+ 329.08793 169.1
[M+HCOO]- 391.08887 185.7
[M+CH3COO]- 405.10452 187.6
[M+Na-2H]- 367.06534 177.5
[M]+ 346.09012 178.5
[M]- 346.09122 178.5
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.