CID 215155

35100-91-5

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC(CC1=CC=CC=C1)N2C(=O)CC(=O)NC2=O
InChI
InChI=1S/C13H14N2O3/c1-9(7-10-5-3-2-4-6-10)15-12(17)8-11(16)14-13(15)18/h2-6,9H,7-8H2,1H3,(H,14,16,18)
InChIKey
FFACIFVJLCNHFA-UHFFFAOYSA-N
Compound name
1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10045 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 156.2
[M+Na]+ 269.08967 168.0
[M+NH4]+ 264.13427 162.1
[M+K]+ 285.06361 162.6
[M-H]- 245.09317 157.2
[M+Na-2H]- 267.07512 161.1
[M]+ 246.09990 157.8
[M]- 246.10100 157.8
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.