CID 3299304

1-(4-methoxy-3-nitrobenzenesulfonyl)piperazine

Structural Information

Molecular Formula
C11H15N3O5S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O5S/c1-19-11-3-2-9(8-10(11)14(15)16)20(17,18)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChIKey
JSWKSHLRFKOQIB-UHFFFAOYSA-N
Compound name
1-(4-methoxy-3-nitrophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07324 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08052 159.2
[M+Na]+ 324.06246 169.7
[M+NH4]+ 319.10706 164.6
[M+K]+ 340.03640 167.0
[M-H]- 300.06596 160.5
[M+Na-2H]- 322.04791 163.9
[M]+ 301.07269 161.0
[M]- 301.07379 161.0
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.