CID 216567

37431-48-4

Structural Information

Molecular Formula
C16H18N2O5
SMILES
CCC(C1=CC=CC=C1)C2(C(=O)NC(=O)NC2=O)OC(=O)CC
InChI
InChI=1S/C16H18N2O5/c1-3-11(10-8-6-5-7-9-10)16(23-12(19)4-2)13(20)17-15(22)18-14(16)21/h5-9,11H,3-4H2,1-2H3,(H2,17,18,20,21,22)
InChIKey
JOOCBFAGZLFQJA-UHFFFAOYSA-N
Compound name
[2,4,6-trioxo-5-(1-phenylpropyl)-1,3-diazinan-5-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.12158 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.12886 173.5
[M+Na]+ 341.11080 182.9
[M+NH4]+ 336.15540 178.4
[M+K]+ 357.08474 177.5
[M-H]- 317.11430 172.3
[M+Na-2H]- 339.09625 177.4
[M]+ 318.12103 174.1
[M]- 318.12213 174.1
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

patents stripe