CID 479721

3-chloro-6-isopropyl-8-methoxy-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Structural Information

Molecular Formula
C15H14ClN3O3
SMILES
CC(C)N1C2=C(C=CC(=C2)OC)OC3=NN=C(C=C3C1=O)Cl
InChI
InChI=1S/C15H14ClN3O3/c1-8(2)19-11-6-9(21-3)4-5-12(11)22-14-10(15(19)20)7-13(16)17-18-14/h4-8H,1-3H3
InChIKey
SJXVAWDPYOWGEM-UHFFFAOYSA-N
Compound name
3-chloro-8-methoxy-6-propan-2-ylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.07236 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07964 167.7
[M+Na]+ 342.06158 179.3
[M-H]- 318.06508 171.7
[M+NH4]+ 337.10618 179.9
[M+K]+ 358.03552 180.0
[M+H-H2O]+ 302.06962 158.7
[M+HCOO]- 364.07056 178.9
[M+CH3COO]- 378.08621 178.9
[M+Na-2H]- 340.04703 173.3
[M]+ 319.07181 171.6
[M]- 319.07291 171.6
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.