CID 9207811

1-(3,4-diethoxybenzenesulfonyl)piperazine

Structural Information

Molecular Formula
C14H22N2O4S
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)OCC
InChI
InChI=1S/C14H22N2O4S/c1-3-19-13-6-5-12(11-14(13)20-4-2)21(17,18)16-9-7-15-8-10-16/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKey
MRAVYVYLNSSEPX-UHFFFAOYSA-N
Compound name
1-(3,4-diethoxyphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.13004 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13732 171.9
[M+Na]+ 337.11926 177.3
[M-H]- 313.12276 173.6
[M+NH4]+ 332.16386 183.2
[M+K]+ 353.09320 173.4
[M+H-H2O]+ 297.12730 163.6
[M+HCOO]- 359.12824 182.4
[M+CH3COO]- 373.14389 199.1
[M+Na-2H]- 335.10471 173.4
[M]+ 314.12949 172.6
[M]- 314.13059 172.6
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.