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 175.0
[M+Na]+ 334.14858 178.6
[M-H]- 310.15208 173.8
[M+NH4]+ 329.19318 182.6
[M+K]+ 350.12252 175.6
[M+H-H2O]+ 294.15662 165.2
[M+HCOO]- 356.15756 184.7
[M+CH3COO]- 370.17321 206.6
[M+Na-2H]- 332.13403 172.8
[M]+ 311.15881 168.0
[M]- 311.15991 168.0
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.