CID 479748

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

Structural Information

Molecular Formula
C15H13N3O3
SMILES
COC1=CC2=C(C=C1)OC3=C(C=CN=N3)C(=O)N2CC=C
InChI
InChI=1S/C15H13N3O3/c1-3-8-18-12-9-10(20-2)4-5-13(12)21-14-11(15(18)19)6-7-16-17-14/h3-7,9H,1,8H2,2H3
InChIKey
VFMSOPTVLBHJRW-UHFFFAOYSA-N
Compound name
8-methoxy-6-prop-2-enylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.0957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.102976 162.5
[M+Na]+ 306.084918 172.4
[M-H]- 282.088424 166.3
[M+NH4]+ 301.129523 174.7
[M+K]+ 322.058858 172.9
[M+H-H2O]+ 266.092960 153.4
[M+HCOO]- 328.093901 178.9
[M+CH3COO]- 342.109551 173.7
[M+Na-2H]- 304.070366 169.9
[M]+ 283.09515142 163.9
[M]- 283.09624858 163.9
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.