CID 478790

3,5-dinitro-4-(1-piperidyl)benzenesulfonamide

Structural Information

Molecular Formula
C11H14N4O6S
SMILES
C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O6S/c12-22(20,21)8-6-9(14(16)17)11(10(7-8)15(18)19)13-4-2-1-3-5-13/h6-7H,1-5H2,(H2,12,20,21)
InChIKey
AURNBDKJCQMLMP-UHFFFAOYSA-N
Compound name
3,5-dinitro-4-piperidin-1-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.06342 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.07070 166.9
[M+Na]+ 353.05264 169.4
[M-H]- 329.05614 171.0
[M+NH4]+ 348.09724 176.2
[M+K]+ 369.02658 157.9
[M+H-H2O]+ 313.06068 167.4
[M+HCOO]- 375.06162 182.1
[M+CH3COO]- 389.07727 194.1
[M+Na-2H]- 351.03809 174.5
[M]+ 330.06287 159.5
[M]- 330.06397 159.5
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.