CID 463137

Dipyridodiazepinone deriv. 8

Structural Information

Molecular Formula
C17H20N4O
SMILES
CCN1C2=C(C=CC=N2)C(=O)NC3=C1N=C(C=C3C)C(C)C
InChI
InChI=1S/C17H20N4O/c1-5-21-15-12(7-6-8-18-15)17(22)20-14-11(4)9-13(10(2)3)19-16(14)21/h6-10H,5H2,1-4H3,(H,20,22)
InChIKey
OWUIXLYXHSECMR-UHFFFAOYSA-N
Compound name
2-ethyl-7-methyl-5-propan-2-yl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

296.1637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 172.0
[M+Na]+ 319.15292 181.3
[M-H]- 295.15642 172.8
[M+NH4]+ 314.19752 183.5
[M+K]+ 335.12686 179.5
[M+H-H2O]+ 279.16096 162.3
[M+HCOO]- 341.16190 184.5
[M+CH3COO]- 355.17755 181.3
[M+Na-2H]- 317.13837 175.7
[M]+ 296.16315 170.2
[M]- 296.16425 170.2
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.