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]+ 296.13936 175.2
[M+Na]+ 318.12130 186.2
[M-H]- 294.12480 182.1
[M+NH4]+ 313.16590 182.7
[M+K]+ 334.09524 185.0
[M+H-H2O]+ 278.12934 165.5
[M+HCOO]- 340.13028 190.7
[M+CH3COO]- 354.14593 185.3
[M+Na-2H]- 316.10675 179.9
[M]+ 295.13153 177.4
[M]- 295.13263 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.