CID 479717

3-chloro-6-ethyl-8-methyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Structural Information

Molecular Formula
C14H12ClN3O2
SMILES
CCN1C2=C(C=CC(=C2)C)OC3=NN=C(C=C3C1=O)Cl
InChI
InChI=1S/C14H12ClN3O2/c1-3-18-10-6-8(2)4-5-11(10)20-13-9(14(18)19)7-12(15)16-17-13/h4-7H,3H2,1-2H3
InChIKey
LRPZYCHEKFPFKV-UHFFFAOYSA-N
Compound name
3-chloro-6-ethyl-8-methylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0618 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06908 161.8
[M+Na]+ 312.05102 174.2
[M-H]- 288.05452 165.7
[M+NH4]+ 307.09562 175.3
[M+K]+ 328.02496 173.7
[M+H-H2O]+ 272.05906 152.9
[M+HCOO]- 334.06000 173.9
[M+CH3COO]- 348.07565 173.6
[M+Na-2H]- 310.03647 168.6
[M]+ 289.06125 164.4
[M]- 289.06235 164.4
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.