CID 494168

Nsc193012

Structural Information

Molecular Formula
C11H12N6O4
SMILES
COC1=N[N+](=CC(=C1)NC=NC2=CC(=N[N+](=C2)[O-])OC)[O-]
InChI
InChI=1S/C11H12N6O4/c1-20-10-3-8(5-16(18)14-10)12-7-13-9-4-11(21-2)15-17(19)6-9/h3-7H,1-2H3,(H,12,13)
InChIKey
FJDPDCPKTYUZPJ-UHFFFAOYSA-N
Compound name
N,N'-bis(6-methoxy-2-oxidopyridazin-2-ium-4-yl)methanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.092 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09928 165.0
[M+Na]+ 315.08122 172.4
[M-H]- 291.08472 166.4
[M+NH4]+ 310.12582 172.8
[M+K]+ 331.05516 159.5
[M+H-H2O]+ 275.08926 163.3
[M+HCOO]- 337.09020 186.4
[M+CH3COO]- 351.10585 189.4
[M+Na-2H]- 313.06667 177.5
[M]+ 292.09145 162.9
[M]- 292.09255 162.9
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.