CID 6413412

Nsc633264

Structural Information

Molecular Formula
C12H12N4O3S
SMILES
C/C(=N/NS(=O)(=O)C1=CC=CC=C1)/C2=N[N+](=CC=C2)[O-]
InChI
InChI=1S/C12H12N4O3S/c1-10(12-8-5-9-16(17)14-12)13-15-20(18,19)11-6-3-2-4-7-11/h2-9,15H,1H3/b13-10-
InChIKey
IQDCMHOWMOVXQT-RAXLEYEMSA-N
Compound name
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

292.06302 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.07030 160.8
[M+Na]+ 315.05224 167.4
[M-H]- 291.05574 165.2
[M+NH4]+ 310.09684 172.4
[M+K]+ 331.02618 158.2
[M+H-H2O]+ 275.06028 156.4
[M+HCOO]- 337.06122 179.1
[M+CH3COO]- 351.07687 192.3
[M+Na-2H]- 313.03769 169.9
[M]+ 292.06247 159.2
[M]- 292.06357 159.2
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.