CID 2051934

4-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]-4-oxobutanoic acid

Structural Information

Molecular Formula
C15H20N2O6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)O
InChI
InChI=1S/C15H20N2O6S/c1-23-12-2-4-13(5-3-12)24(21,22)17-10-8-16(9-11-17)14(18)6-7-15(19)20/h2-5H,6-11H2,1H3,(H,19,20)
InChIKey
ABCDJDYPJYKEMH-UHFFFAOYSA-N
Compound name
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.10422 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.11150 178.0
[M+Na]+ 379.09344 186.1
[M+NH4]+ 374.13804 181.4
[M+K]+ 395.06738 182.0
[M-H]- 355.09694 176.4
[M+Na-2H]- 377.07889 180.6
[M]+ 356.10367 178.6
[M]- 356.10477 178.6
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.