CID 479741

6-ethyl-8-methoxy-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Structural Information

Molecular Formula
C14H13N3O3
SMILES
CCN1C2=C(C=CC(=C2)OC)OC3=C(C1=O)C=CN=N3
InChI
InChI=1S/C14H13N3O3/c1-3-17-11-8-9(19-2)4-5-12(11)20-13-10(14(17)18)6-7-15-16-13/h4-8H,3H2,1-2H3
InChIKey
WBGSTNPHDZMROD-UHFFFAOYSA-N
Compound name
6-ethyl-8-methoxypyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0957 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 158.9
[M+Na]+ 294.08492 168.9
[M-H]- 270.08842 162.9
[M+NH4]+ 289.12952 171.7
[M+K]+ 310.05886 170.3
[M+H-H2O]+ 254.09296 149.9
[M+HCOO]- 316.09390 175.5
[M+CH3COO]- 330.10955 170.4
[M+Na-2H]- 292.07037 166.9
[M]+ 271.09515 160.7
[M]- 271.09625 160.7
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.