CID 48171

66843-12-7

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CCCC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O3/c1-2-9-15(10-8-11-6-4-3-5-7-11)12(18)16-14(20)17-13(15)19/h3-7H,2,8-10H2,1H3,(H2,16,17,18,19,20)
InChIKey
TXRHOYIYCYBWCJ-UHFFFAOYSA-N
Compound name
5-(2-phenylethyl)-5-propyl-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

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 164.3
[M+Na]+ 297.12096 170.9
[M-H]- 273.12446 165.1
[M+NH4]+ 292.16556 178.2
[M+K]+ 313.09490 165.6
[M+H-H2O]+ 257.12900 156.3
[M+HCOO]- 319.12994 179.5
[M+CH3COO]- 333.14559 193.3
[M+Na-2H]- 295.10641 167.0
[M]+ 274.13119 160.5
[M]- 274.13229 160.5
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.