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 162.6
[M+Na]+ 324.06246 167.3
[M-H]- 300.06596 164.9
[M+NH4]+ 319.10706 173.2
[M+K]+ 340.03640 159.6
[M+H-H2O]+ 284.07050 159.1
[M+HCOO]- 346.07144 174.9
[M+CH3COO]- 360.08709 189.1
[M+Na-2H]- 322.04791 168.4
[M]+ 301.07269 158.8
[M]- 301.07379 158.8
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.