CID 479731

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

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CCN1C2=C(C=CC(=C2)C)OC3=C(C1=O)C=CN=N3
InChI
InChI=1S/C14H13N3O2/c1-3-17-11-8-9(2)4-5-12(11)19-13-10(14(17)18)6-7-15-16-13/h4-8H,3H2,1-2H3
InChIKey
CFSZMPPRVZPRSN-UHFFFAOYSA-N
Compound name
6-ethyl-8-methylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 156.0
[M+Na]+ 278.08999 166.2
[M-H]- 254.09349 160.0
[M+NH4]+ 273.13459 169.5
[M+K]+ 294.06393 166.8
[M+H-H2O]+ 238.09803 147.2
[M+HCOO]- 300.09897 172.4
[M+CH3COO]- 314.11462 167.7
[M+Na-2H]- 276.07544 163.9
[M]+ 255.10022 156.4
[M]- 255.10132 156.4
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.