CID 215154

35100-90-4

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCC1C(=O)NC(=O)N(C1=O)C(C)CC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O3/c1-3-12-13(18)16-15(20)17(14(12)19)10(2)9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,16,18,20)
InChIKey
GBKFUXCEAXJZHU-UHFFFAOYSA-N
Compound name
5-ethyl-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

274.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 163.7
[M+Na]+ 297.12096 170.5
[M-H]- 273.12446 166.1
[M+NH4]+ 292.16556 176.5
[M+K]+ 313.09490 166.2
[M+H-H2O]+ 257.12900 155.3
[M+HCOO]- 319.12994 179.4
[M+CH3COO]- 333.14559 198.3
[M+Na-2H]- 295.10641 163.9
[M]+ 274.13119 161.2
[M]- 274.13229 161.2
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

No patent data available for this compound.