CID 3039159

1-((4-(tetrahydro-5-methyl-2,4,6-trioxo-1(2h)-pyrimidinyl)-1-piperazinyl)acetyl)pyrrolidine

Structural Information

Molecular Formula
C15H23N5O4
SMILES
CC1C(=O)NC(=O)N(C1=O)N2CCN(CC2)CC(=O)N3CCCC3
InChI
InChI=1S/C15H23N5O4/c1-11-13(22)16-15(24)20(14(11)23)19-8-6-17(7-9-19)10-12(21)18-4-2-3-5-18/h11H,2-10H2,1H3,(H,16,22,24)
InChIKey
FSDVEZFAZMXCKC-UHFFFAOYSA-N
Compound name
5-methyl-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

337.17502 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.18230 184.3
[M+Na]+ 360.16424 188.0
[M-H]- 336.16774 184.7
[M+NH4]+ 355.20884 191.2
[M+K]+ 376.13818 183.7
[M+H-H2O]+ 320.17228 173.3
[M+HCOO]- 382.17322 190.9
[M+CH3COO]- 396.18887 207.4
[M+Na-2H]- 358.14969 178.0
[M]+ 337.17447 175.5
[M]- 337.17557 175.5
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.