CID 3077093

Brn 4265053

Structural Information

Molecular Formula
C13H14N2O4
SMILES
COC1=C(C=C2C(=C1)C3=NNC(=O)CC3CO2)OC
InChI
InChI=1S/C13H14N2O4/c1-17-10-4-8-9(5-11(10)18-2)19-6-7-3-12(16)14-15-13(7)8/h4-5,7H,3,6H2,1-2H3,(H,14,16)
InChIKey
SNROGWQVPMDSEU-UHFFFAOYSA-N
Compound name
8,9-dimethoxy-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.09537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.10265 158.2
[M+Na]+ 285.08459 171.6
[M+NH4]+ 280.12919 165.5
[M+K]+ 301.05853 165.9
[M-H]- 261.08809 160.4
[M+Na-2H]- 283.07004 161.2
[M]+ 262.09482 160.6
[M]- 262.09592 160.6
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.