CID 49375

67114-27-6

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CC(C)CC1(C(=O)NC(=O)NC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C16H20N2O3/c1-11(2)10-16(9-8-12-6-4-3-5-7-12)13(19)17-15(21)18-14(16)20/h3-7,11H,8-10H2,1-2H3,(H2,17,18,19,20,21)
InChIKey
BOQNFQYZITZXDP-UHFFFAOYSA-N
Compound name
5-(2-methylpropyl)-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 168.3
[M+Na]+ 311.136618 174.3
[M-H]- 287.140124 169.1
[M+NH4]+ 306.181223 181.6
[M+K]+ 327.110558 169.3
[M+H-H2O]+ 271.144660 160.5
[M+HCOO]- 333.145601 182.2
[M+CH3COO]- 347.161251 197.2
[M+Na-2H]- 309.122066 169.5
[M]+ 288.14685142 164.3
[M]- 288.14794858 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.