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

36
Patents

213.05383 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.061106 142.0
[M+Na]+ 236.043048 151.4
[M-H]- 212.046554 144.5
[M+NH4]+ 231.087653 156.0
[M+K]+ 252.016988 151.7
[M+H-H2O]+ 196.051090 133.8
[M+HCOO]- 258.052031 158.2
[M+CH3COO]- 272.067681 153.8
[M+Na-2H]- 234.028496 152.6
[M]+ 213.05328142 139.1
[M]- 213.05437858 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

patents stripe