CID 3039162

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

Structural Information

Molecular Formula
C15H23N5O5
SMILES
CC1C(=O)NC(=O)N(C1=O)N2CCN(CC2)CC(=O)N3CCOCC3
InChI
InChI=1S/C15H23N5O5/c1-11-13(22)16-15(24)20(14(11)23)19-4-2-17(3-5-19)10-12(21)18-6-8-25-9-7-18/h11H,2-10H2,1H3,(H,16,22,24)
InChIKey
ZOWASWMZCHUDKY-UHFFFAOYSA-N
Compound name
5-methyl-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.16992 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17720 189.3
[M+Na]+ 376.15914 192.2
[M-H]- 352.16264 189.6
[M+NH4]+ 371.20374 192.1
[M+K]+ 392.13308 189.1
[M+H-H2O]+ 336.16718 177.2
[M+HCOO]- 398.16812 192.8
[M+CH3COO]- 412.18377 211.0
[M+Na-2H]- 374.14459 185.2
[M]+ 353.16937 180.2
[M]- 353.17047 180.2
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.