CID 479749

6-ethyl-8,10-dimethyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CCN1C2=CC(=CC(=C2OC3=C(C1=O)C=CN=N3)C)C
InChI
InChI=1S/C15H15N3O2/c1-4-18-12-8-9(2)7-10(3)13(12)20-14-11(15(18)19)5-6-16-17-14/h5-8H,4H2,1-3H3
InChIKey
OKJKWQVVOVQJHG-UHFFFAOYSA-N
Compound name
6-ethyl-8,10-dimethylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.11642 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 160.9
[M+Na]+ 292.10564 171.6
[M-H]- 268.10914 165.2
[M+NH4]+ 287.15024 174.2
[M+K]+ 308.07958 172.1
[M+H-H2O]+ 252.11368 152.2
[M+HCOO]- 314.11462 177.0
[M+CH3COO]- 328.13027 172.6
[M+Na-2H]- 290.09109 167.6
[M]+ 269.11587 162.1
[M]- 269.11697 162.1
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.