CID 479727

6,9-dimethylpyridazino[3,4-b][1,5]benzoxazepin-5-one

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CC1=CC2=C(C=C1)N(C(=O)C3=C(O2)N=NC=C3)C
InChI
InChI=1S/C13H11N3O2/c1-8-3-4-10-11(7-8)18-12-9(5-6-14-15-12)13(17)16(10)2/h3-7H,1-2H3
InChIKey
PULNXYOUMFMGND-UHFFFAOYSA-N
Compound name
6,9-dimethylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08513 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 151.4
[M+Na]+ 264.07435 162.2
[M-H]- 240.07785 155.6
[M+NH4]+ 259.11895 165.6
[M+K]+ 280.04829 162.9
[M+H-H2O]+ 224.08239 142.9
[M+HCOO]- 286.08333 168.3
[M+CH3COO]- 300.09898 163.6
[M+Na-2H]- 262.05980 159.9
[M]+ 241.08458 151.6
[M]- 241.08568 151.6
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.