CID 9302

Medazomide

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CN1C(=O)CCC(=N1)C(=O)N
InChI
InChI=1S/C6H9N3O2/c1-9-5(10)3-2-4(8-9)6(7)11/h2-3H2,1H3,(H2,7,11)
InChIKey
LXFKHPXXAPOYCC-UHFFFAOYSA-N
Compound name
1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

64
Patents

155.06947 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.076746 131.1
[M+Na]+ 178.058688 139.1
[M-H]- 154.062194 131.8
[M+NH4]+ 173.103293 149.0
[M+K]+ 194.032628 137.9
[M+H-H2O]+ 138.066730 124.2
[M+HCOO]- 200.067671 151.4
[M+CH3COO]- 214.083321 178.0
[M+Na-2H]- 176.044136 135.6
[M]+ 155.06892142 127.9
[M]- 155.07001858 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe