CID 479740

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

Structural Information

Molecular Formula
C13H11N3O3
SMILES
CN1C2=C(C=CC(=C2)OC)OC3=C(C1=O)C=CN=N3
InChI
InChI=1S/C13H11N3O3/c1-16-10-7-8(18-2)3-4-11(10)19-12-9(13(16)17)5-6-14-15-12/h3-7H,1-2H3
InChIKey
KILNRBZQRWVKOD-UHFFFAOYSA-N
Compound name
8-methoxy-6-methylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08005 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 154.4
[M+Na]+ 280.06927 164.9
[M-H]- 256.07277 158.6
[M+NH4]+ 275.11387 167.7
[M+K]+ 296.04321 166.4
[M+H-H2O]+ 240.07731 145.6
[M+HCOO]- 302.07825 171.3
[M+CH3COO]- 316.09390 166.4
[M+Na-2H]- 278.05472 162.9
[M]+ 257.07950 155.9
[M]- 257.08060 155.9
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.