CID 49321

67051-54-1

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CC(=C)CC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O3/c1-9(2)8-14(10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18/h3-7H,1,8H2,2H3,(H2,15,16,17,18,19)
InChIKey
IVGRRGDBHYPYJK-UHFFFAOYSA-N
Compound name
5-(2-methylprop-2-enyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 159.9
[M+Na]+ 281.08965 171.1
[M+NH4]+ 276.13425 166.5
[M+K]+ 297.06359 164.1
[M-H]- 257.09315 160.1
[M+Na-2H]- 279.07510 165.5
[M]+ 258.09988 161.3
[M]- 258.10098 161.3
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.