CID 494211

61821-93-0

Structural Information

Molecular Formula
C10H10N4O4S2
SMILES
COC1=N[N+](=C(C=C1)SSC2=[N+](N=C(C=C2)OC)[O-])[O-]
InChI
InChI=1S/C10H10N4O4S2/c1-17-7-3-5-9(13(15)11-7)19-20-10-6-4-8(18-2)12-14(10)16/h3-6H,1-2H3
InChIKey
QDHYMIIKHPOPCN-UHFFFAOYSA-N
Compound name
3-methoxy-6-[(6-methoxy-2-oxidopyridazin-2-ium-3-yl)disulfanyl]-1-oxidopyridazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.01434 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02162 163.6
[M+Na]+ 337.00356 171.8
[M-H]- 313.00706 163.5
[M+NH4]+ 332.04816 171.2
[M+K]+ 352.97750 156.5
[M+H-H2O]+ 297.01160 163.5
[M+HCOO]- 359.01254 171.9
[M+CH3COO]- 373.02819 185.1
[M+Na-2H]- 334.98901 169.7
[M]+ 314.01379 162.0
[M]- 314.01489 162.0
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.