CID 221326

91644-02-9

Structural Information

Molecular Formula
C12H15N3O4S
SMILES
C1CCC(=NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC1
InChI
InChI=1S/C12H15N3O4S/c16-15(17)11-6-8-12(9-7-11)20(18,19)14-13-10-4-2-1-3-5-10/h6-9,14H,1-5H2
InChIKey
KVTUOEDVLCFCHU-UHFFFAOYSA-N
Compound name
N-(cyclohexylideneamino)-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

297.07834 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08562 160.7
[M+Na]+ 320.06756 163.7
[M-H]- 296.07106 167.6
[M+NH4]+ 315.11216 174.5
[M+K]+ 336.04150 156.5
[M+H-H2O]+ 280.07560 157.2
[M+HCOO]- 342.07654 180.0
[M+CH3COO]- 356.09219 196.7
[M+Na-2H]- 318.05301 168.0
[M]+ 297.07779 156.1
[M]- 297.07889 156.1
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.