CID 6882506

373615-94-2

Structural Information

Molecular Formula
C12H9ClN4O2
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=NNC(=O)C=C2)Cl
InChI
InChI=1S/C12H9ClN4O2/c13-9-4-2-1-3-8(9)7-14-17-12(19)10-5-6-11(18)16-15-10/h1-7H,(H,16,18)(H,17,19)/b14-7+
InChIKey
GYQBJNCBCXEOAS-VGOFMYFVSA-N
Compound name
N-[(E)-(2-chlorophenyl)methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

276.0414 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.04868 158.3
[M+Na]+ 299.03062 167.1
[M-H]- 275.03412 162.6
[M+NH4]+ 294.07522 171.7
[M+K]+ 315.00456 161.3
[M+H-H2O]+ 259.03866 149.5
[M+HCOO]- 321.03960 178.1
[M+CH3COO]- 335.05525 198.7
[M+Na-2H]- 297.01607 165.3
[M]+ 276.04085 159.1
[M]- 276.04195 159.1
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

No patent data available for this compound.