CID 479725

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

Structural Information

Molecular Formula
C12H9N3O2
SMILES
CN1C2=CC=CC=C2OC3=C(C1=O)C=CN=N3
InChI
InChI=1S/C12H9N3O2/c1-15-9-4-2-3-5-10(9)17-11-8(12(15)16)6-7-13-14-11/h2-7H,1H3
InChIKey
BJFWXBHYZHMHJU-UHFFFAOYSA-N
Compound name
6-methylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06947 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07675 146.4
[M+Na]+ 250.05869 156.7
[M-H]- 226.06219 150.4
[M+NH4]+ 245.10329 160.7
[M+K]+ 266.03263 157.5
[M+H-H2O]+ 210.06673 137.9
[M+HCOO]- 272.06767 163.6
[M+CH3COO]- 286.08332 158.7
[M+Na-2H]- 248.04414 156.1
[M]+ 227.06892 145.9
[M]- 227.07002 145.9
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.