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]+ 284.10298 162.5
[M+Na]+ 306.08492 172.4
[M-H]- 282.08842 166.3
[M+NH4]+ 301.12952 174.7
[M+K]+ 322.05886 172.9
[M+H-H2O]+ 266.09296 153.4
[M+HCOO]- 328.09390 178.9
[M+CH3COO]- 342.10955 173.7
[M+Na-2H]- 304.07037 169.9
[M]+ 283.09515 163.9
[M]- 283.09625 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.