CID 3041867

1-((4-((4-methyl-1-piperazinyl)acetyl)phenyl)sulfonyl)piperidine maleate (1:2)

Structural Information

Molecular Formula
C18H27N3O3S
SMILES
CN1CCN(CC1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3
InChI
InChI=1S/C18H27N3O3S/c1-19-11-13-20(14-12-19)15-18(22)16-5-7-17(8-6-16)25(23,24)21-9-3-2-4-10-21/h5-8H,2-4,9-15H2,1H3
InChIKey
OEWCNLZNSYERMW-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1773 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18458 186.7
[M+Na]+ 388.16652 189.3
[M-H]- 364.17002 190.2
[M+NH4]+ 383.21112 194.3
[M+K]+ 404.14046 184.6
[M+H-H2O]+ 348.17456 176.4
[M+HCOO]- 410.17550 192.1
[M+CH3COO]- 424.19115 211.4
[M+Na-2H]- 386.15197 185.3
[M]+ 365.17675 181.6
[M]- 365.17785 181.6
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.