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 163.3
[M+Na]+ 313.07949 169.9
[M-H]- 289.08299 164.6
[M+NH4]+ 308.12409 176.2
[M+K]+ 329.05343 166.7
[M+H-H2O]+ 273.08753 155.9
[M+HCOO]- 335.08847 177.5
[M+CH3COO]- 349.10412 195.3
[M+Na-2H]- 311.06494 164.8
[M]+ 290.08972 160.2
[M]- 290.09082 160.2
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

patents stripe