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-methyl-3-pyridinyl)-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]+ 381.155746 190.7
[M+Na]+ 403.137688 198.8
[M-H]- 379.141194 196.3
[M+NH4]+ 398.182293 199.5
[M+K]+ 419.111628 193.7
[M+H-H2O]+ 363.145730 179.8
[M+HCOO]- 425.146671 206.7
[M+CH3COO]- 439.162321 222.9
[M+Na-2H]- 401.123136 190.7
[M]+ 380.14792142 189.8
[M]- 380.14901858 189.8
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.