CID 3039161

1-piperazineacetamide, 4-(tetrahydro-5-methyl-2,4,6-trioxo-1(2h)-pyrimidinyl)-n-(1-methylethyl)-

Structural Information

Molecular Formula
C14H23N5O4
SMILES
CC1C(=O)NC(=O)N(C1=O)N2CCN(CC2)CC(=O)NC(C)C
InChI
InChI=1S/C14H23N5O4/c1-9(2)15-11(20)8-17-4-6-18(7-5-17)19-13(22)10(3)12(21)16-14(19)23/h9-10H,4-8H2,1-3H3,(H,15,20)(H,16,21,23)
InChIKey
YDGIPQBTGNDRTF-UHFFFAOYSA-N
Compound name
2-[4-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]-N-propan-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17502 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18230 179.6
[M+Na]+ 348.16424 183.8
[M-H]- 324.16774 178.7
[M+NH4]+ 343.20884 187.0
[M+K]+ 364.13818 180.5
[M+H-H2O]+ 308.17228 170.0
[M+HCOO]- 370.17322 189.0
[M+CH3COO]- 384.18887 211.0
[M+Na-2H]- 346.14969 176.2
[M]+ 325.17447 173.4
[M]- 325.17557 173.4
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.