CID 73335441

Diazepinone derivative 4

Structural Information

Molecular Formula
C24H19FN4O2
SMILES
COC1=NC=CC(=C1)C2=NCC(=O)N3CCC4=C(C=CC=C4C3=C2)C5=CN=C(C=C5)F
InChI
InChI=1S/C24H19FN4O2/c1-31-23-11-15(7-9-26-23)20-12-21-19-4-2-3-17(16-5-6-22(25)28-13-16)18(19)8-10-29(21)24(30)14-27-20/h2-7,9,11-13H,8,10,14H2,1H3
InChIKey
GISRGWUSGUAUMX-UHFFFAOYSA-N
Compound name
9-(6-fluoropyridin-3-yl)-2-(2-methoxypyridin-4-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

414.1492 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.15648 203.2
[M+Na]+ 437.13842 218.2
[M+NH4]+ 432.18302 209.0
[M+K]+ 453.11236 210.1
[M-H]- 413.14192 207.1
[M+Na-2H]- 435.12387 210.6
[M]+ 414.14865 206.6
[M]- 414.14975 206.6
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

patents stripe