CID 16226904

2-chloro-1-[4-(4-ethoxybenzenesulfonyl)piperazin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C14H19ClN2O4S
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCl
InChI
InChI=1S/C14H19ClN2O4S/c1-2-21-12-3-5-13(6-4-12)22(19,20)17-9-7-16(8-10-17)14(18)11-15/h3-6H,2,7-11H2,1H3
InChIKey
PENDNONREBJGCA-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.0754 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08268 175.1
[M+Na]+ 369.06462 181.6
[M-H]- 345.06812 178.6
[M+NH4]+ 364.10922 186.7
[M+K]+ 385.03856 177.2
[M+H-H2O]+ 329.07266 167.5
[M+HCOO]- 391.07360 181.8
[M+CH3COO]- 405.08925 204.6
[M+Na-2H]- 367.05007 175.8
[M]+ 346.07485 178.3
[M]- 346.07595 178.3
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.