CID 479724

6h-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Structural Information

Molecular Formula
C11H7N3O2
SMILES
C1=CC=C2C(=C1)NC(=O)C3=C(O2)N=NC=C3
InChI
InChI=1S/C11H7N3O2/c15-10-7-5-6-12-14-11(7)16-9-4-2-1-3-8(9)13-10/h1-6H,(H,13,15)
InChIKey
MKANPKMZYPJTLH-UHFFFAOYSA-N
Compound name
6H-pyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

213.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06111 142.0
[M+Na]+ 236.04305 151.4
[M-H]- 212.04655 144.5
[M+NH4]+ 231.08765 156.0
[M+K]+ 252.01699 151.7
[M+H-H2O]+ 196.05109 133.8
[M+HCOO]- 258.05203 158.2
[M+CH3COO]- 272.06768 153.8
[M+Na-2H]- 234.02850 152.6
[M]+ 213.05328 139.1
[M]- 213.05438 139.1
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.