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 190.7
[M+Na]+ 403.13769 198.8
[M-H]- 379.14119 196.3
[M+NH4]+ 398.18229 199.5
[M+K]+ 419.11163 193.7
[M+H-H2O]+ 363.14573 179.8
[M+HCOO]- 425.14667 206.7
[M+CH3COO]- 439.16232 222.9
[M+Na-2H]- 401.12314 190.7
[M]+ 380.14792 189.8
[M]- 380.14902 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.