CID 210096

20942-22-7

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CC(=O)CCC1C(=O)NC(=O)N(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O4/c1-9(17)7-8-11-12(18)15-14(20)16(13(11)19)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,15,18,20)
InChIKey
WTMIEMJOWOUDNF-UHFFFAOYSA-N
Compound name
5-(3-oxobutyl)-1-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 162.4
[M+Na]+ 297.08459 173.9
[M+NH4]+ 292.12919 167.2
[M+K]+ 313.05853 169.0
[M-H]- 273.08809 162.6
[M+Na-2H]- 295.07004 166.3
[M]+ 274.09482 163.6
[M]- 274.09592 163.6
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

No patent data available for this compound.