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]+ 395.17138 194.0
[M+Na]+ 417.15332 200.4
[M-H]- 393.15682 199.2
[M+NH4]+ 412.19792 201.8
[M+K]+ 433.12726 195.8
[M+H-H2O]+ 377.16136 183.0
[M+HCOO]- 439.16230 208.8
[M+CH3COO]- 453.17795 225.4
[M+Na-2H]- 415.13877 193.3
[M]+ 394.16355 192.5
[M]- 394.16465 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.