CID 3054207

Brn 0722597

Structural Information

Molecular Formula
C20H20N4O4
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)C2=CN=CC(=C2)C)CC(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C20H20N4O4/c1-3-20(14-7-5-4-6-8-14)17(26)23(12-16(21)25)19(28)24(18(20)27)15-9-13(2)10-22-11-15/h4-11H,3,12H2,1-2H3,(H2,21,25)
InChIKey
LKUDFNQKHDZYLZ-UHFFFAOYSA-N
Compound name
2-[5-ethyl-3-(5-methylpyridin-3-yl)-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15575 189.8
[M+Na]+ 403.13769 202.5
[M+NH4]+ 398.18229 195.0
[M+K]+ 419.11163 195.3
[M-H]- 379.14119 192.6
[M+Na-2H]- 401.12314 196.9
[M]+ 380.14792 192.2
[M]- 380.14902 192.2
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.