CID 3050845

Piperazine, 1,4-bis(2-(4-methoxyphenylsulfonyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H30N2O6S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)CCN2CCN(CC2)CCS(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H30N2O6S2/c1-29-19-3-7-21(8-4-19)31(25,26)17-15-23-11-13-24(14-12-23)16-18-32(27,28)22-9-5-20(30-2)6-10-22/h3-10H,11-18H2,1-2H3
InChIKey
OGJRZWQMYPOZRL-UHFFFAOYSA-N
Compound name
1,4-bis[2-(4-methoxyphenyl)sulfonylethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.15454 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.16182 212.4
[M+Na]+ 505.14376 216.5
[M-H]- 481.14726 217.4
[M+NH4]+ 500.18836 217.0
[M+K]+ 521.11770 210.9
[M+H-H2O]+ 465.15180 202.5
[M+HCOO]- 527.15274 217.2
[M+CH3COO]- 541.16839 229.6
[M+Na-2H]- 503.12921 213.6
[M]+ 482.15399 216.6
[M]- 482.15509 216.6
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.