CID 479742

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

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CCCN1C2=C(C=CC(=C2)OC)OC3=C(C1=O)C=CN=N3
InChI
InChI=1S/C15H15N3O3/c1-3-8-18-12-9-10(20-2)4-5-13(12)21-14-11(15(18)19)6-7-16-17-14/h4-7,9H,3,8H2,1-2H3
InChIKey
GISACDATMKZBAV-UHFFFAOYSA-N
Compound name
8-methoxy-6-propylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 163.4
[M+Na]+ 308.10055 173.0
[M-H]- 284.10405 167.2
[M+NH4]+ 303.14515 175.6
[M+K]+ 324.07449 174.1
[M+H-H2O]+ 268.10859 154.2
[M+HCOO]- 330.10953 179.6
[M+CH3COO]- 344.12518 174.5
[M+Na-2H]- 306.08600 170.8
[M]+ 285.11078 165.4
[M]- 285.11188 165.4
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.