CID 827132

1-methyl-4-(2-(4-methylphenylthio)benzoyl)piperazine hydrogen maleate

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)N3CCN(CC3)C
InChI
InChI=1S/C19H22N2OS/c1-15-7-9-16(10-8-15)23-18-6-4-3-5-17(18)19(22)21-13-11-20(2)12-14-21/h3-10H,11-14H2,1-2H3
InChIKey
WMUVQWLPJIFRAV-UHFFFAOYSA-N
Compound name
[2-(4-methylphenyl)sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

326.1453 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 177.3
[M+Na]+ 349.13452 183.2
[M-H]- 325.13802 183.5
[M+NH4]+ 344.17912 188.9
[M+K]+ 365.10846 177.2
[M+H-H2O]+ 309.14256 167.4
[M+HCOO]- 371.14350 188.9
[M+CH3COO]- 385.15915 186.5
[M+Na-2H]- 347.11997 176.3
[M]+ 326.14475 175.6
[M]- 326.14585 175.6
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

patents stripe