CID 3054210

Brn 0732481

Structural Information

Molecular Formula
C22H24N6O5
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)NC2=CN=CC=C2)CC(=O)NC3=CN=CC=C3)CC
InChI
InChI=1S/C22H24N6O5/c1-3-22(4-2)19(31)27(13-17(29)25-15-7-5-9-23-11-15)21(33)28(20(22)32)14-18(30)26-16-8-6-10-24-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey
NPKFYRIERBNEQZ-UHFFFAOYSA-N
Compound name
2-[5,5-diethyl-2,4,6-trioxo-3-[2-oxo-2-(pyridin-3-ylamino)ethyl]-1,3-diazinan-1-yl]-N-pyridin-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.18082 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.18810 204.4
[M+Na]+ 475.17004 214.3
[M+NH4]+ 470.21464 207.1
[M+K]+ 491.14398 208.5
[M-H]- 451.17354 205.8
[M+Na-2H]- 473.15549 210.4
[M]+ 452.18027 205.7
[M]- 452.18137 205.7
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.