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

5
Patents

290.09027 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.097546 163.3
[M+Na]+ 313.079488 169.9
[M-H]- 289.082994 164.6
[M+NH4]+ 308.124093 176.2
[M+K]+ 329.053428 166.7
[M+H-H2O]+ 273.087530 155.9
[M+HCOO]- 335.088471 177.5
[M+CH3COO]- 349.104121 195.3
[M+Na-2H]- 311.064936 164.8
[M]+ 290.08972142 160.2
[M]- 290.09081858 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