CID 16226863

925397-97-3

Structural Information

Molecular Formula
C14H17ClN2O3S
SMILES
C1CN(CCN1C(=O)CCl)S(=O)(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H17ClN2O3S/c15-12-14(18)16-7-9-17(10-8-16)21(19,20)11-6-13-4-2-1-3-5-13/h1-6,11H,7-10,12H2/b11-6+
InChIKey
ZENJHLKSCRYIBJ-IZZDOVSWSA-N
Compound name
2-chloro-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.06485 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.07213 172.3
[M+Na]+ 351.05407 178.6
[M-H]- 327.05757 175.5
[M+NH4]+ 346.09867 184.5
[M+K]+ 367.02801 172.9
[M+H-H2O]+ 311.06211 164.7
[M+HCOO]- 373.06305 179.0
[M+CH3COO]- 387.07870 199.8
[M+Na-2H]- 349.03952 173.3
[M]+ 328.06430 172.9
[M]- 328.06540 172.9
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.