CID 479733

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

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CC1=CC2=C(C=C1)OC3=C(C=CN=N3)C(=O)N2C(C)C
InChI
InChI=1S/C15H15N3O2/c1-9(2)18-12-8-10(3)4-5-13(12)20-14-11(15(18)19)6-7-16-17-14/h4-9H,1-3H3
InChIKey
BKROWONCPOCCJI-UHFFFAOYSA-N
Compound name
8-methyl-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

269.11642 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 159.6
[M+Na]+ 292.10564 169.2
[M-H]- 268.10914 163.6
[M+NH4]+ 287.15024 172.6
[M+K]+ 308.07958 170.2
[M+H-H2O]+ 252.11368 150.9
[M+HCOO]- 314.11462 174.9
[M+CH3COO]- 328.13027 170.9
[M+Na-2H]- 290.09109 166.1
[M]+ 269.11587 159.9
[M]- 269.11697 159.9
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.