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]+ 298.085616 160.7
[M+Na]+ 320.067558 163.7
[M-H]- 296.071064 167.6
[M+NH4]+ 315.112163 174.5
[M+K]+ 336.041498 156.5
[M+H-H2O]+ 280.075600 157.2
[M+HCOO]- 342.076541 180.0
[M+CH3COO]- 356.092191 196.7
[M+Na-2H]- 318.053006 168.0
[M]+ 297.07779142 156.1
[M]- 297.07888858 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

literature stripe

Patent stripe

No patent data available for this compound.