CID 4463428

Ethyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate

Structural Information

Molecular Formula
C14H20N2O4S
SMILES
CCOC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H20N2O4S/c1-2-20-14(17)12-15-8-10-16(11-9-15)21(18,19)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKey
AFCOFRSAZNSZDI-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(benzenesulfonyl)piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

312.11438 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12166 170.7
[M+Na]+ 335.10360 175.8
[M-H]- 311.10710 173.8
[M+NH4]+ 330.14820 182.5
[M+K]+ 351.07754 172.8
[M+H-H2O]+ 295.11164 162.2
[M+HCOO]- 357.11258 182.0
[M+CH3COO]- 371.12823 199.7
[M+Na-2H]- 333.08905 172.4
[M]+ 312.11383 171.6
[M]- 312.11493 171.6
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

patents stripe