CID 3039155

2,4,6(1h,3h,5h)-pyrimidinetrione, 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)-1-piperazinyl)-

Structural Information

Molecular Formula
C14H21N5O4
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)N3C(=O)CC(=O)NC3=O
InChI
InChI=1S/C14H21N5O4/c20-11-9-12(21)19(14(23)15-11)18-7-5-16(6-8-18)10-13(22)17-3-1-2-4-17/h1-10H2,(H,15,20,23)
InChIKey
IFYLFFMLMKMJJL-UHFFFAOYSA-N
Compound name
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15936 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16664 179.5
[M+Na]+ 346.14858 182.7
[M-H]- 322.15208 179.8
[M+NH4]+ 341.19318 186.7
[M+K]+ 362.12252 178.7
[M+H-H2O]+ 306.15662 168.3
[M+HCOO]- 368.15756 186.6
[M+CH3COO]- 382.17321 203.2
[M+Na-2H]- 344.13403 174.4
[M]+ 323.15881 169.9
[M]- 323.15991 169.9
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.