CID 479732

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

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CCCN1C2=C(C=CC(=C2)C)OC3=C(C1=O)C=CN=N3
InChI
InChI=1S/C15H15N3O2/c1-3-8-18-12-9-10(2)4-5-13(12)20-14-11(15(18)19)6-7-16-17-14/h4-7,9H,3,8H2,1-2H3
InChIKey
NUOYRZHVEGVBCX-UHFFFAOYSA-N
Compound name
8-methyl-6-propylpyridazino[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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 160.5
[M+Na]+ 292.10564 170.3
[M-H]- 268.10914 164.3
[M+NH4]+ 287.15024 173.5
[M+K]+ 308.07958 170.7
[M+H-H2O]+ 252.11368 151.5
[M+HCOO]- 314.11462 176.6
[M+CH3COO]- 328.13027 171.8
[M+Na-2H]- 290.09109 167.9
[M]+ 269.11587 161.2
[M]- 269.11697 161.2
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.