CID 3077091

Brn 4263735

Structural Information

Molecular Formula
C13H13N3O3
SMILES
CC(=O)NC1=CC2=C(C=C1)OCC3C2=NNC(=O)C3
InChI
InChI=1S/C13H13N3O3/c1-7(17)14-9-2-3-11-10(5-9)13-8(6-19-11)4-12(18)15-16-13/h2-3,5,8H,4,6H2,1H3,(H,14,17)(H,15,18)
InChIKey
ZFAWGPAAZREJSW-UHFFFAOYSA-N
Compound name
N-(3-oxo-2,4,4a,5-tetrahydrochromeno[4,3-c]pyridazin-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0957 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.10298 156.4
[M+Na]+ 282.08492 163.5
[M-H]- 258.08842 158.0
[M+NH4]+ 277.12952 170.1
[M+K]+ 298.05886 160.4
[M+H-H2O]+ 242.09296 148.0
[M+HCOO]- 304.09390 170.8
[M+CH3COO]- 318.10955 166.7
[M+Na-2H]- 280.07037 163.3
[M]+ 259.09515 153.5
[M]- 259.09625 153.5
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.