CID 926149

Piperazine, 1-methyl-4-(3,4,5-trimethoxythiobenzoyl)-, hydrochloride

Structural Information

Molecular Formula
C15H22N2O3S
SMILES
CN1CCN(CC1)C(=S)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C15H22N2O3S/c1-16-5-7-17(8-6-16)15(21)11-9-12(18-2)14(20-4)13(10-11)19-3/h9-10H,5-8H2,1-4H3
InChIKey
VOQJIRJRSSDKOF-UHFFFAOYSA-N
Compound name
(4-methylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.1351 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.14238 172.7
[M+Na]+ 333.12432 184.3
[M+NH4]+ 328.16892 179.5
[M+K]+ 349.09826 176.5
[M-H]- 309.12782 174.9
[M+Na-2H]- 331.10977 177.1
[M]+ 310.13455 175.3
[M]- 310.13565 175.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.