CID 703957

1-(naphthalene-2-sulfonyl)-piperazine

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C14H16N2O2S/c17-19(18,16-9-7-15-8-10-16)14-6-5-12-3-1-2-4-13(12)11-14/h1-6,11,15H,7-10H2
InChIKey
OJWPAXRMRPPQBG-UHFFFAOYSA-N
Compound name
1-naphthalen-2-ylsulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

152
Patents

276.09326 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 160.7
[M+Na]+ 299.08248 167.3
[M-H]- 275.08598 163.3
[M+NH4]+ 294.12708 174.4
[M+K]+ 315.05642 161.6
[M+H-H2O]+ 259.09052 152.7
[M+HCOO]- 321.09146 170.8
[M+CH3COO]- 335.10711 170.4
[M+Na-2H]- 297.06793 166.0
[M]+ 276.09271 157.1
[M]- 276.09381 157.1
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