CID 479754

6-(cyclopropylmethyl)-8,10-dimethyl-pyridazino[3,4-b][1,5]benzoxazepin-5-one

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CC1=CC(=C2C(=C1)N(C(=O)C3=C(O2)N=NC=C3)CC4CC4)C
InChI
InChI=1S/C17H17N3O2/c1-10-7-11(2)15-14(8-10)20(9-12-3-4-12)17(21)13-5-6-18-19-16(13)22-15/h5-8,12H,3-4,9H2,1-2H3
InChIKey
FOABMUPQORPPCA-UHFFFAOYSA-N
Compound name
6-(cyclopropylmethyl)-8,10-dimethylpyridazino[3,4-b][1,5]benzoxazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.139356 175.2
[M+Na]+ 318.121298 186.2
[M-H]- 294.124804 182.1
[M+NH4]+ 313.165903 182.7
[M+K]+ 334.095238 185.0
[M+H-H2O]+ 278.129340 165.5
[M+HCOO]- 340.130281 190.7
[M+CH3COO]- 354.145931 185.3
[M+Na-2H]- 316.106746 179.9
[M]+ 295.13153142 177.4
[M]- 295.13262858 177.4
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.