CID 3039157

1-piperzineacetamide, n-(1-methylethyl)-4-(tetrahydro-2,4,6-trioxo-1(2h)-pyrimidinyl)-

Structural Information

Molecular Formula
C13H21N5O4
SMILES
CC(C)NC(=O)CN1CCN(CC1)N2C(=O)CC(=O)NC2=O
InChI
InChI=1S/C13H21N5O4/c1-9(2)14-11(20)8-16-3-5-17(6-4-16)18-12(21)7-10(19)15-13(18)22/h9H,3-8H2,1-2H3,(H,14,20)(H,15,19,22)
InChIKey
LTTYPAWSZPWJIT-UHFFFAOYSA-N
Compound name
N-propan-2-yl-2-[4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15936 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.16664 173.1
[M+Na]+ 334.14858 179.8
[M+NH4]+ 329.19318 175.5
[M+K]+ 350.12252 177.7
[M-H]- 310.15208 171.1
[M+Na-2H]- 332.13403 173.1
[M]+ 311.15881 172.6
[M]- 311.15991 172.6
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.