CID 15567692

Ethyl ((5-(5-butyl-2,4,6-trioxohexahydro-5-pyrimidinyl)pentanoyl)amino)acetate

Structural Information

Molecular Formula
C17H27N3O6
SMILES
CCCCC1(C(=O)NC(=O)NC1=O)CCCCC(=O)NCC(=O)OCC
InChI
InChI=1S/C17H27N3O6/c1-3-5-9-17(14(23)19-16(25)20-15(17)24)10-7-6-8-12(21)18-11-13(22)26-4-2/h3-11H2,1-2H3,(H,18,21)(H2,19,20,23,24,25)
InChIKey
SFQKWTZUFCGGRM-UHFFFAOYSA-N
Compound name
ethyl 2-[5-(5-butyl-2,4,6-trioxo-1,3-diazinan-5-yl)pentanoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.18997 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19725 187.7
[M+Na]+ 392.17919 192.1
[M+NH4]+ 387.22379 189.7
[M+K]+ 408.15313 187.9
[M-H]- 368.18269 182.9
[M+Na-2H]- 390.16464 186.4
[M]+ 369.18942 186.1
[M]- 369.19052 186.1
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.