CID 797560

121751-67-5

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N2CCNCC2
InChI
InChI=1S/C11H16N2O3S/c1-16-10-2-4-11(5-3-10)17(14,15)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey
RYCVCXVHXZLECQ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

78
Patents

256.08817 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.095446 156.1
[M+Na]+ 279.077388 162.4
[M-H]- 255.080894 158.2
[M+NH4]+ 274.121993 169.7
[M+K]+ 295.051328 158.5
[M+H-H2O]+ 239.085430 148.4
[M+HCOO]- 301.086371 167.5
[M+CH3COO]- 315.102021 186.8
[M+Na-2H]- 277.062836 159.5
[M]+ 256.08762142 154.0
[M]- 256.08871858 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe