CID 216560

37431-37-1

Structural Information

Molecular Formula
C14H14N2O5
SMILES
CC(C1=CC=CC=C1)C2(C(=O)NC(=O)NC2=O)OC(=O)C
InChI
InChI=1S/C14H14N2O5/c1-8(10-6-4-3-5-7-10)14(21-9(2)17)11(18)15-13(20)16-12(14)19/h3-8H,1-2H3,(H2,15,16,18,19,20)
InChIKey
KLPVACBCXCZPDM-UHFFFAOYSA-N
Compound name
[2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

290.09027 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 164.9
[M+Na]+ 313.07949 174.8
[M+NH4]+ 308.12409 170.1
[M+K]+ 329.05343 169.8
[M-H]- 289.08299 163.9
[M+Na-2H]- 311.06494 169.4
[M]+ 290.08972 165.6
[M]- 290.09082 165.6
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