CID 216571

Brn 0764164

Structural Information

Molecular Formula
C15H16N2O6
SMILES
CCC(=O)OC1(C(=O)NC(=O)NC1=O)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16N2O6/c1-3-11(18)23-15(12(19)16-14(21)17-13(15)20)8-9-4-6-10(22-2)7-5-9/h4-7H,3,8H2,1-2H3,(H2,16,17,19,20,21)
InChIKey
NXUFBCJPVKJKLH-UHFFFAOYSA-N
Compound name
[5-[(4-methoxyphenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.10083 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10811 170.0
[M+Na]+ 343.09005 177.0
[M-H]- 319.09355 171.3
[M+NH4]+ 338.13465 181.8
[M+K]+ 359.06399 173.8
[M+H-H2O]+ 303.09809 162.2
[M+HCOO]- 365.09903 184.9
[M+CH3COO]- 379.11468 201.0
[M+Na-2H]- 341.07550 171.6
[M]+ 320.10028 169.6
[M]- 320.10138 169.6
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