CID 6415215

Nsc633267

Structural Information

Molecular Formula
C12H11N5O5S
SMILES
C/C(=N/NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])/C2=N[N+](=CC=C2)[O-]
InChI
InChI=1S/C12H11N5O5S/c1-9(12-3-2-8-16(18)14-12)13-15-23(21,22)11-6-4-10(5-7-11)17(19)20/h2-8,15H,1H3/b13-9-
InChIKey
YYCPWJDTMANMDX-LCYFTJDESA-N
Compound name
4-nitro-N-[(Z)-1-(1-oxidopyridazin-1-ium-3-yl)ethylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0481 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.05538 169.5
[M+Na]+ 360.03732 173.9
[M-H]- 336.04082 173.8
[M+NH4]+ 355.08192 177.6
[M+K]+ 376.01126 161.0
[M+H-H2O]+ 320.04536 168.8
[M+HCOO]- 382.04630 187.7
[M+CH3COO]- 396.06195 195.4
[M+Na-2H]- 358.02277 180.6
[M]+ 337.04755 165.6
[M]- 337.04865 165.6
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.