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]+ 338.182296 184.3
[M+Na]+ 360.164238 188.0
[M-H]- 336.167744 184.7
[M+NH4]+ 355.208843 191.2
[M+K]+ 376.138178 183.7
[M+H-H2O]+ 320.172280 173.3
[M+HCOO]- 382.173221 190.9
[M+CH3COO]- 396.188871 207.4
[M+Na-2H]- 358.149686 178.0
[M]+ 337.17447142 175.5
[M]- 337.17556858 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.