CID 3054206

Dihydro-5-ethyl-3-methyl-5-phenyl-n-3-pyridinylmethyl-1-pyrimidineacetamide

Structural Information

Molecular Formula
C21H22N4O4
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)C(C)C2=CC=NC=C2)CC(=O)N)C3=CC=CC=C3
InChI
InChI=1S/C21H22N4O4/c1-3-21(16-7-5-4-6-8-16)18(27)24(13-17(22)26)20(29)25(19(21)28)14(2)15-9-11-23-12-10-15/h4-12,14H,3,13H2,1-2H3,(H2,22,26)
InChIKey
NOWNSAXKVVEFKX-UHFFFAOYSA-N
Compound name
2-[5-ethyl-2,4,6-trioxo-5-phenyl-3-(1-pyridin-4-ylethyl)-1,3-diazinan-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.1641 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.171376 194.0
[M+Na]+ 417.153318 200.4
[M-H]- 393.156824 199.2
[M+NH4]+ 412.197923 201.8
[M+K]+ 433.127258 195.8
[M+H-H2O]+ 377.161360 183.0
[M+HCOO]- 439.162301 208.8
[M+CH3COO]- 453.177951 225.4
[M+Na-2H]- 415.138766 193.3
[M]+ 394.16355142 192.5
[M]- 394.16464858 192.5
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.