CID 2125328

1-[4-(piperazine-1-sulfonyl)phenyl]ethan-1-one hydrochloride

Structural Information

Molecular Formula
C12H16N2O3S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C12H16N2O3S/c1-10(15)11-2-4-12(5-3-11)18(16,17)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H3
InChIKey
WRMOTUAHMUXQJQ-UHFFFAOYSA-N
Compound name
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

7
Patents

268.08817 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09545 158.6
[M+Na]+ 291.07739 168.8
[M+NH4]+ 286.12199 164.7
[M+K]+ 307.05133 162.6
[M-H]- 267.08089 159.0
[M+Na-2H]- 289.06284 163.6
[M]+ 268.08762 160.3
[M]- 268.08872 160.3
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

patents stripe