CID 6413284

Nsc633265

Structural Information

Molecular Formula
C13H14N4O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C)\C2=N[N+](=CC=C2)[O-]
InChI
InChI=1S/C13H14N4O3S/c1-10-5-7-12(8-6-10)21(19,20)16-14-11(2)13-4-3-9-17(18)15-13/h3-9,16H,1-2H3/b14-11-
InChIKey
NIYVXGKMCFCMBB-KAMYIIQDSA-N
Compound name
4-methyl-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

306.07867 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08595 165.6
[M+Na]+ 329.06789 172.6
[M-H]- 305.07139 170.2
[M+NH4]+ 324.11249 176.9
[M+K]+ 345.04183 163.2
[M+H-H2O]+ 289.07593 161.3
[M+HCOO]- 351.07687 183.5
[M+CH3COO]- 365.09252 196.5
[M+Na-2H]- 327.05334 173.6
[M]+ 306.07812 164.8
[M]- 306.07922 164.8
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.