CID 479744

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

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CC(C)N1C2=C(C=CC(=C2)OC)OC3=C(C1=O)C=CN=N3
InChI
InChI=1S/C15H15N3O3/c1-9(2)18-12-8-10(20-3)4-5-13(12)21-14-11(15(18)19)6-7-16-17-14/h4-9H,1-3H3
InChIKey
WQLXJZKFPUTSRI-UHFFFAOYSA-N
Compound name
8-methoxy-6-propan-2-ylpyridazino[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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 162.6
[M+Na]+ 308.10055 172.0
[M-H]- 284.10405 166.6
[M+NH4]+ 303.14515 174.8
[M+K]+ 324.07449 173.7
[M+H-H2O]+ 268.10859 153.7
[M+HCOO]- 330.10953 178.0
[M+CH3COO]- 344.12518 173.7
[M+Na-2H]- 306.08600 169.1
[M]+ 285.11078 164.2
[M]- 285.11188 164.2
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.